pypi.org "chemistry" keyword
View the packages on the pypi.org package registry that are tagged with the "chemistry" keyword.
py-smps 2.0.0
A simple python library to import and visualize data from particle sizing instruments.10 versions - Latest release: over 3 years ago - 1 dependent repositories - 79 downloads last month - 29 stars on GitHub - 1 maintainer
gopem 0.8 đ°
GOPEM is a graphical user interface of OPEM4 versions - Latest release: over 1 year ago - 1 dependent repositories - 25 downloads last month - 31 stars on GitHub - 1 maintainer
cbsyst 0.4.9
Tools for calculating ocean C and B chemistry.18 versions - Latest release: over 1 year ago - 1 dependent repositories - 112 downloads last month - 27 stars on GitHub - 1 maintainer
datalab-server 0.6.3
datalab is a research data management platform for materials science and chemistry.10 versions - Latest release: about 2 hours ago - 596 downloads last month - 67 stars on GitHub - 1 maintainer
chemformula 1.4.1
ChemFormula is a Python class for working with chemical formulas. It allows parsing chemical form...7 versions - Latest release: about 1 month ago - 1 dependent repositories - 1.94 thousand downloads last month - 28 stars on GitHub - 1 maintainer
materials 0.1.5 đ°
Density, magnetic permeability etc. for a range of materials.6 versions - Latest release: over 7 years ago - 6 dependent repositories - 282 downloads last month - 9 stars on GitHub - 1 maintainer
molzip 0.9.2
An implementation of compression-based regression and classification for molecular SMILES.2 versions - Latest release: almost 2 years ago - 42 downloads last month - 55 stars on GitHub - 1 maintainer
hylight 1.0.0
Hylight is post-processing package for luminescence related ab initio computations.1 version - Latest release: about 1 year ago - 13 downloads last month - 1 stars on GitHub - 2 maintainers
pka-predictor-moitessier 0.1.12
Graph-based pKa prediction for small molecules8 versions - Latest release: about 1 month ago - 68 downloads last month - 5 stars on GitHub - 1 maintainer
srbogrid 0.2.1
Package for calculating space-reduced bond-order grids for diatomics3 versions - Latest release: about 4 years ago - 1 dependent repositories - 11 downloads last month - 1 stars on GitHub - 1 maintainer
chemdraw 0.0.6
Drawing molecules6 versions - Latest release: about 1 year ago - 1 dependent repositories - 71 downloads last month - 47 stars on GitHub - 1 maintainer
Top 3.0% on pypi.org
63 versions - Latest release: 6 months ago - 11 dependent packages - 16 dependent repositories - 24.6 thousand downloads last month - 592 stars on GitHub - 1 maintainer
thermo 0.4.2
Chemical properties component of Chemical Engineering Design Library (ChEDL)63 versions - Latest release: 6 months ago - 11 dependent packages - 16 dependent repositories - 24.6 thousand downloads last month - 592 stars on GitHub - 1 maintainer
life123 1.0rc4
Dynamical Modeling of Biological Systems - Quantitative Reactomics10 versions - Latest release: 3 months ago - 33 downloads last month - 3 stars on GitHub - 1 maintainer
quasigraph 25.3.2
quasigraph: Chemical and Geometric Descriptor Toolkit for Machine Learning Models.28 versions - Latest release: 6 months ago - 28 downloads last month - 3 stars on GitHub - 1 maintainer
quacc 1.0.3
A platform to enable high-throughput, database-driven quantum chemistry and computational materia...99 versions - Latest release: 9 days ago - 1 dependent repositories - 2.32 thousand downloads last month - 221 stars on GitHub - 1 maintainer
Top 10.0% on pypi.org
45 versions - Latest release: over 2 years ago - 2 dependent packages - 1 dependent repositories - 3.47 thousand downloads last month - 103 stars on GitHub - 2 maintainers
shakenbreak 24.1.7
Package to generate and analyse distorted defect structures, in order to identify ground-state an...45 versions - Latest release: over 2 years ago - 2 dependent packages - 1 dependent repositories - 3.47 thousand downloads last month - 103 stars on GitHub - 2 maintainers
gracklepy 1.2
A wrapper for the Grackle chemistry library1 version - Latest release: 12 days ago - 645 downloads last month - 28 stars on GitHub - 2 maintainers
solvation-analysis 0.4.1
A toolkit to analyze solvation structure in molecular dynamics trajectories.15 versions - Latest release: about 1 year ago - 1 dependent repositories - 2.17 thousand downloads last month - 54 stars on GitHub - 1 maintainer
stoichiograph 0.1.2
Spell words with elemental symbols from the periodic table ("He", "Cu", etc).3 versions - Latest release: over 8 years ago - 1 dependent repositories - 11 downloads last month - 42 stars on GitHub - 1 maintainer
Top 3.1% on pypi.org
57 versions - Latest release: over 1 year ago - 4 dependent packages - 22 dependent repositories - 20.2 thousand downloads last month - 605 stars on GitHub - 1 maintainer
chempy 0.9.0
ChemPy is a Python package useful for solving problems in chemistry.57 versions - Latest release: over 1 year ago - 4 dependent packages - 22 dependent repositories - 20.2 thousand downloads last month - 605 stars on GitHub - 1 maintainer
chemiscope 0.8.6
Helpers to work with the chemiscope interactive structure/property explorer for materials and mol...26 versions - Latest release: 3 months ago - 2 dependent packages - 3 dependent repositories - 1.26 thousand downloads last month - 156 stars on GitHub - 2 maintainers
topsearch 0.0.3
A Python package for topographical analysis of machine learning models and physical systems3 versions - Latest release: over 1 year ago - 37 downloads last month - 17 stars on GitHub - 1 maintainer
wulffpack 1.5
A package for making Wulff constructions8 versions - Latest release: about 1 month ago - 1 dependent repositories - 338 downloads last month - 15 stars on gitlab.com - 2 maintainers
Top 5.0% on pypi.org
17 versions - Latest release: 10 months ago - 4 dependent packages - 6 dependent repositories - 11.9 thousand downloads last month - 273 stars on GitHub - 3 maintainers
meeko 0.6.1
Python package for preparing small molecule for docking17 versions - Latest release: 10 months ago - 4 dependent packages - 6 dependent repositories - 11.9 thousand downloads last month - 273 stars on GitHub - 3 maintainers
chemgraphagent 0.1.1
A computational chemistry agent for molecular simulation tasks.2 versions - Latest release: about 2 months ago - 22 downloads last month - 18 stars on GitHub - 1 maintainer
Top 7.2% on pypi.org
9 versions - Latest release: almost 2 years ago - 2 dependent packages - 5 dependent repositories - 838 downloads last month - 65 stars on GitHub - 1 maintainer
kallisto 1.0.10
The Kallisto software enables the efficient calculation of atomic features that can be used withi...9 versions - Latest release: almost 2 years ago - 2 dependent packages - 5 dependent repositories - 838 downloads last month - 65 stars on GitHub - 1 maintainer
tesliper 0.9.3
a package for batch processing of spectra-related Gaussian output files7 versions - Latest release: over 3 years ago - 1 dependent repositories - 13 downloads last month - 7 stars on GitHub - 1 maintainer
Top 1.7% on pypi.org
34 versions - Latest release: 3 months ago - 23 dependent packages - 69 dependent repositories - 56.2 thousand downloads last month - 71 stars on GitHub - 8 maintainers
openfermion 1.7.1
The electronic structure package for quantum computers.34 versions - Latest release: 3 months ago - 23 dependent packages - 69 dependent repositories - 56.2 thousand downloads last month - 71 stars on GitHub - 8 maintainers
calorine 2.3.1
A Python library for building and sampling NEP models via the GPUMD package17 versions - Latest release: about 1 year ago - 1 dependent package - 62.2 thousand downloads last month - 14 stars on gitlab.com - 2 maintainers
Top 9.7% on pypi.org
40 versions - Latest release: about 1 year ago - 1 dependent package - 1 dependent repositories - 343 downloads last month - 83 stars on GitHub - 3 maintainers
foundry-ml 1.0.4
Package to support simplified application of machine learning models to datasets in materials sci...40 versions - Latest release: about 1 year ago - 1 dependent package - 1 dependent repositories - 343 downloads last month - 83 stars on GitHub - 3 maintainers
pylattica 0.1.4
pylattica is a package for fast prototyping of lattice models for chemistry and materials science5 versions - Latest release: 8 months ago - 39 downloads last month - 10 stars on GitHub - 1 maintainer
Top 0.7% on pypi.org
34 versions - Latest release: 22 days ago - 315 dependent packages - 710 dependent repositories - 582 thousand downloads last month - 451 stars on gitlab.com - 3 maintainers
ase 3.26.0
Atomic Simulation Environment34 versions - Latest release: 22 days ago - 315 dependent packages - 710 dependent repositories - 582 thousand downloads last month - 451 stars on gitlab.com - 3 maintainers
Top 9.9% on pypi.org
11 versions - Latest release: almost 2 years ago - 4 dependent repositories - 500 downloads last month - 552 stars on GitHub - 3 maintainers
avogadro 1.98.1 đ°
Avogadro provides analysis and data processing useful in computational chemistry, molecular model...11 versions - Latest release: almost 2 years ago - 4 dependent repositories - 500 downloads last month - 552 stars on GitHub - 3 maintainers
qflux 0.0.1
qflux is a package for running quantum dynamics calculations on quantum devices.1 version - Latest release: 4 months ago - 18 downloads last month - 0 stars on GitHub - 1 maintainer
hymd 2.2.0
Massively parallel hybrid particle-field MD15 versions - Latest release: almost 2 years ago - 1 dependent repositories - 28 downloads last month - 29 stars on GitHub - 1 maintainer
cocktail-shaker 1.1.8 đ°
A peptide string building for expanding chemical dataset combinations.13 versions - Latest release: about 5 years ago - 16 downloads last month - 12 stars on GitHub - 1 maintainer
Top 1.7% on pypi.org
51 versions - Latest release: 6 months ago - 34 dependent packages - 47 dependent repositories - 89.2 thousand downloads last month - 1,316 stars on GitHub - 4 maintainers
mdanalysis 2.9.0
An object-oriented toolkit to analyze molecular dynamics trajectories.51 versions - Latest release: 6 months ago - 34 dependent packages - 47 dependent repositories - 89.2 thousand downloads last month - 1,316 stars on GitHub - 4 maintainers
opem 1.4 đ°
Open Source PEM Cell Simulation Tool14 versions - Latest release: over 1 year ago - 1 dependent package - 1 dependent repositories - 257 downloads last month - 186 stars on GitHub - 1 maintainer
polypy 0.8.2
Molecular Dynamics analysis10 versions - Latest release: over 4 years ago - 1 dependent repositories - 22 downloads last month - 11 stars on GitHub - 1 maintainer
schemist 0.0.4
Organizing and processing tables of chemical structures.6 versions - Latest release: 6 months ago - 21 downloads last month - 2 stars on GitHub - 1 maintainer
funsies 0.8.1
Funsies is a library to build and execution engine for reproducible, composable and data-persiste...4 versions - Latest release: almost 4 years ago - 1 dependent repositories - 21 downloads last month - 41 stars on GitHub - 1 maintainer
Top 7.7% on pypi.org
7 versions - Latest release: almost 7 years ago - 1 dependent package - 12 dependent repositories - 976 downloads last month - 118 stars on GitHub - 1 maintainer
chemspipy 2.0.0
A simple Python wrapper around the ChemSpider Web Services.7 versions - Latest release: almost 7 years ago - 1 dependent package - 12 dependent repositories - 976 downloads last month - 118 stars on GitHub - 1 maintainer
orca-pi 1.0.1
Python interface for the quantum chemical ORCA software package.2 versions - Latest release: 2 months ago - 235 downloads last month - 84 stars on GitHub - 1 maintainer
opi-orca 1.0.0 removed
Python interface for the quantum chemical ORCA software package.1 version - Latest release: 3 months ago - 84 stars on GitHub - 1 maintainer
fplore 0.6.1
FPLO run evaluation10 versions - Latest release: 7 months ago - 1 dependent repositories - 151 downloads last month - 3 stars on GitHub - 1 maintainer
promptsmiles 1.7.2
A conveniant package to manipulate SMILES strings for iterative prompting with chemical language ...9 versions - Latest release: 5 months ago - 173 downloads last month - 26 stars on GitHub - 1 maintainer
sage-lib 0.1.1
A library for advanced scientific calculations and visualization179 versions - Latest release: almost 2 years ago - 1.22 thousand downloads last month - 1 maintainer
Top 9.8% on pypi.org
158 versions - Latest release: 5 months ago - 2 dependent repositories - 4.98 thousand downloads last month - 87 stars on GitHub - 1 maintainer
cellpy 1.0.2
Extract and manipulate data from battery data testers.158 versions - Latest release: 5 months ago - 2 dependent repositories - 4.98 thousand downloads last month - 87 stars on GitHub - 1 maintainer
Top 7.1% on pypi.org
71 versions - Latest release: almost 5 years ago - 5 dependent repositories - 1.02 thousand downloads last month - 130 stars on GitHub - 5 maintainers
beep 2020.9.29
beep is a python package supporting Battery Estimation and Early Prediction of battery cycle life.71 versions - Latest release: almost 5 years ago - 5 dependent repositories - 1.02 thousand downloads last month - 130 stars on GitHub - 5 maintainers
pyopencap 1.2.7
An open source package for metastable electronic states in molecules.16 versions - Latest release: 4 months ago - 1 dependent repositories - 188 downloads last month - 22 stars on GitHub - 2 maintainers
khipu-metabolomics 2.0.4
Common utilities for interpreting mass spectrometry data32 versions - Latest release: about 1 month ago - 1 dependent package - 170 downloads last month - 9 stars on GitHub - 1 maintainer
kmcpy 0.2.3
Kinetic Monte Carlo Simulation using Python (kMCpy)12 versions - Latest release: 1 day ago - 71 downloads last month - 25 stars on GitHub - 1 maintainer
chemxls 0.0.1
chemxls is a python & tk application for creating xls files (spreadsheets) bases on computational...5 versions - Latest release: almost 5 years ago - 18 downloads last month - 20 stars on GitHub - 1 maintainer
mechasvg 0.1.1
mechaSVG is a python & tk application for creating good-looking energy profile diagrams as Scalab...13 versions - Latest release: almost 5 years ago - 1 dependent repositories - 19 downloads last month - 79 stars on GitHub - 1 maintainer
chemics 19.6.1 đ°
A Python package for chemical engineering25 versions - Latest release: about 6 years ago - 1 dependent repositories - 123 downloads last month - 169 stars on GitHub - 1 maintainer
Top 4.3% on pypi.org
44 versions - Latest release: about 1 month ago - 7 dependent packages - 12 dependent repositories - 2.02 thousand downloads last month - 186 stars on GitHub - 5 maintainers
qcengine 0.33.0
A compute wrapper for Quantum Chemistry.44 versions - Latest release: about 1 month ago - 7 dependent packages - 12 dependent repositories - 2.02 thousand downloads last month - 186 stars on GitHub - 5 maintainers
pychemy 0.5.0
Helpers for handling chemical formulas in Python5 versions - Latest release: over 6 years ago - 2 dependent repositories - 27 downloads last month - 5 stars on GitHub - 2 maintainers
pybacting 0.2.15 đ°
A python wrapper around Bacting21 versions - Latest release: 11 days ago - 1 dependent repositories - 194 downloads last month - 11 stars on GitHub - 2 maintainers
geometrical-parameter 1.0.1
['', 'Geometrical_Parameters', 'Geometrical parameters from xyz files. ', '', 'To know how to use...3 versions - Latest release: over 2 years ago - 11 downloads last month - 1 stars on GitHub - 1 maintainer
pycea 0.0.2
pycea is a modern Python wrapper for the NASA CEA code.3 versions - Latest release: over 2 years ago - 1 dependent repositories - 107 downloads last month - 4 stars on GitHub - 1 maintainer
icet 1.2.2
A Pythonic approach to cluster expansions20 versions - Latest release: over 5 years ago - 1 dependent repositories - 323 downloads last month - 35 stars on gitlab.com - 2 maintainers
rhodent 1.0
Analyzing hot-carrier distributions from TD-DFT simulations2 versions - Latest release: 2 months ago - 16 downloads last month - 2 maintainers
chemtrayzer 3.0.0b4
Reaction models from molecular dynamics simulations.2 versions - Latest release: 6 months ago - 40 downloads last month - 2 maintainers
Top 4.6% on pypi.org
6 versions - Latest release: 7 months ago - 3 dependent packages - 17 dependent repositories - 3.35 thousand downloads last month - 156 stars on GitHub - 1 maintainer
pysmiles 2.0.0
A lightweight SMILES reader and writer6 versions - Latest release: 7 months ago - 3 dependent packages - 17 dependent repositories - 3.35 thousand downloads last month - 156 stars on GitHub - 1 maintainer
tencirchem-ng 2024.10
Efficient quantum computational chemistry based on TensorCircuit1 version - Latest release: 10 months ago - 14 downloads last month - 5 stars on GitHub - 1 maintainer
mspeeps 0.1.3
A Python package for extracting mass spectrometry spectra from mzML files and converting them to ...3 versions - Latest release: 4 months ago - 32 downloads last month - 0 stars on GitHub - 1 maintainer
zacrostools 1.0.0
A collection of tools for the preparation of input files for ZACROS27 versions - Latest release: 12 months ago - 40 downloads last month - 6 stars on GitHub - 1 maintainer
synfrag 1.0.0
SynFrag: A Synthetic Accessibility Predictor based Fragment Assembly autoRegressive pretrain1 version - Latest release: 2 days ago - 4 stars on GitHub
epam-indigo 1.34.0
Indigo universal cheminformatics toolkit172 versions - Latest release: 17 days ago - 11.3 thousand downloads last month - 361 stars on GitHub - 1 maintainer
Top 8.5% on pypi.org
169 versions - Latest release: 17 days ago - 2 dependent repositories - 945 downloads last month - 361 stars on GitHub - 1 maintainer
bingo-elastic 1.34.0
Cartridge that provides fast, scalable, and efficient storage and searching solution for chemical...169 versions - Latest release: 17 days ago - 2 dependent repositories - 945 downloads last month - 361 stars on GitHub - 1 maintainer
chem-mat-database 1.1.2
Command Line Interface for projects4 versions - Latest release: 2 days ago - 32 downloads last month - 0 stars on GitHub - 1 maintainer
lindemann 0.10.0
lindemann is a python package to calculate the Lindemann index of a lammps trajectory as well as...10 versions - Latest release: about 1 year ago - 1 dependent repositories - 37 downloads last month - 24 stars on GitHub - 1 maintainer
specbench 0.0.1
ććŠè°±ćŠć€§æšĄć Benchmark ćŒæ1 version - Latest release: 2 months ago - 3 downloads last month - 1 maintainer
Top 3.3% on pypi.org
72 versions - Latest release: 5 months ago - 5 dependent packages - 12 dependent repositories - 29.9 thousand downloads last month - 930 stars on GitHub - 3 maintainers
pytdc 1.1.15
Therapeutics Commons72 versions - Latest release: 5 months ago - 5 dependent packages - 12 dependent repositories - 29.9 thousand downloads last month - 930 stars on GitHub - 3 maintainers
kconmd 1.0.17
Molecular dynamics (MD) simulations supported by k-Bags Convolutional Neural Network (kcon).1 version - Latest release: over 6 years ago - 1 dependent repositories - 4 downloads last month - 3 stars on GitHub - 1 maintainer
mddatasetbuilder 1.3.10
A script to generate molecular dynamics (MD) datasets for machine learning from given LAMMPS traj...29 versions - Latest release: about 1 year ago - 1 dependent repositories - 128 downloads last month - 40 stars on GitHub - 1 maintainer
compspace 0.0.3
A matplotlib-based plotting library for visualizing composition spaces.3 versions - Latest release: 2 days ago - 96 downloads last month - 0 stars on GitHub
monte-library 0.2.0
monte-library is a set of Monte Carlo methods in Python. The package is written to be flexible, c...2 versions - Latest release: 12 months ago - 7 downloads last month - 4 stars on GitHub - 1 maintainer
ph-diagrams 0.3.3 đ°
Python package to plot pH diagrams3 versions - Latest release: about 3 years ago - 12 downloads last month - 5 stars on GitHub - 1 maintainer
Top 8.8% on pypi.org
2 versions - Latest release: over 1 year ago - 4 dependent repositories - 413 downloads last month - 187 stars on GitHub - 1 maintainer
gauche 0.1.6
Gaussian Process Library for Molecules, Chemical Reactions and Proteins.2 versions - Latest release: over 1 year ago - 4 dependent repositories - 413 downloads last month - 187 stars on GitHub - 1 maintainer
pwfn 0.1.1
pwfn is a single-page library to parse .wfn file2 versions - Latest release: about 4 years ago - 1 dependent repositories - 11 downloads last month - 1 stars on GitHub - 1 maintainer
pythermolinkdb 1.3.7
PyThermoLinkDB is a Python package providing a robust and efficient interface between `PyThermoDB...11 versions - Latest release: about 2 months ago - 103 downloads last month - 1 stars on GitHub
qmdesc 1.0.6
A qm descriptor prediction package2 versions - Latest release: almost 5 years ago - 1 dependent package - 2 dependent repositories - 51 downloads last month - 10 stars on GitHub - 1 maintainer
shepherd-score 1.1.2
3D scoring functions used for evaluation of ShEPhERD5 versions - Latest release: 3 days ago - 212 downloads last month - 1 maintainer
Top 7.5% on pypi.org
2 versions - Latest release: over 9 years ago - 8 dependent repositories - 5.09 thousand downloads last month - 127 stars on GitHub - 1 maintainer
cirpy 1.0.2
Python wrapper for the NCI Chemical Identifier Resolver (CIR).2 versions - Latest release: over 9 years ago - 8 dependent repositories - 5.09 thousand downloads last month - 127 stars on GitHub - 1 maintainer
streamm 0.3.2
The Simulation Toolkit for Renewable Energy and Advanced Materials Modeling (STREAMM)1 version - Latest release: almost 8 years ago - 1 dependent repositories - 12 downloads last month - 1 maintainer
vipster 1.19.1
A pre- and post-processing toolkit for atomistic simulations.4 versions - Latest release: over 4 years ago - 1 dependent repositories - 48 downloads last month - 26 stars on GitHub - 1 maintainer
chic-lib 0.1.19
Coarse-grainig hybrid and inorganic crystals (CHIC)18 versions - Latest release: 10 months ago - 64 downloads last month - 14 stars on GitHub - 1 maintainer
asedftk 0.2.7
DFTK-based calculator for ASE15 versions - Latest release: over 4 years ago - 1 dependent repositories - 303 downloads last month - 2 stars on GitHub - 1 maintainer
Top 7.0% on pypi.org
14 versions - Latest release: 24 days ago - 11 dependent packages - 2 dependent repositories - 23.1 thousand downloads last month - 151 stars on GitHub - 1 maintainer
pybaselines 1.2.1
A library of algorithms for the baseline correction of experimental data.14 versions - Latest release: 24 days ago - 11 dependent packages - 2 dependent repositories - 23.1 thousand downloads last month - 151 stars on GitHub - 1 maintainer
lolicon 0.0.5a0 đ°
A STEM project that provides useful utility methods for engineering sciences and educational purp...6 versions - Latest release: over 4 years ago - 2 dependent repositories - 12 downloads last month - 12 stars on GitHub - 1 maintainer
fragment-qc 0.5.0
A Fragmentation Framework5 versions - Latest release: 6 months ago - 35 downloads last month - 5 stars on gitlab.com - 1 maintainer
piro 2023.4.24
piro is software designed to assist in planning of synthesis pathways for inorganics8 versions - Latest release: over 2 years ago - 1 dependent repositories - 19 downloads last month - 1 maintainer
xenoponics 0.0.3
Tools and scripts to run hydroponics systems in a smarter way.2 versions - Latest release: over 3 years ago - 1 dependent repositories - 3 downloads last month - 1 stars on GitHub - 1 maintainer
buffer-app 1.0.0
A quick GUI to quickly calculate buffer dilution and adjustment.1 version - Latest release: over 4 years ago - 1 dependent repositories - 20 downloads last month - 0 stars on GitHub - 1 maintainer
Top 2.8% on pypi.org
12 versions - Latest release: 9 months ago - 6 dependent packages - 19 dependent repositories - 31.3 thousand downloads last month - 556 stars on GitHub - 3 maintainers
cantera 3.1.0 đ°
Cantera is an open-source suite of tools for problems involving chemical kinetics, thermodynamics...12 versions - Latest release: 9 months ago - 6 dependent packages - 19 dependent repositories - 31.3 thousand downloads last month - 556 stars on GitHub - 3 maintainers
scikit-fingerprints 1.17.0
Library for effective molecular fingerprints calculation21 versions - Latest release: 3 days ago - 5.35 thousand downloads last month - 120 stars on GitHub - 3 maintainers
molz 0.1.2
Molecular analysis tool2 versions - Latest release: over 4 years ago - 1 dependent repositories - 16 downloads last month - 9 stars on GitHub - 1 maintainer
apdft 2019.12.2
APDFT calculates quantumchemical results for many molecules at once.4 versions - Latest release: over 5 years ago - 48 downloads last month - 14 stars on GitHub - 1 maintainer
polyatomic-complexes 2.0.0
Representations of atomistic systems.8 versions - Latest release: 7 months ago - 115 downloads last month - 1 stars on GitHub - 1 maintainer
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