Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "chemoinformatics" keyword
chem-classification 0.0.3 💰
Deep learning in smiles win / loss evaluation.3 versions - Latest release: about 1 year ago - 1 dependent package - 34 downloads last month - 1 stars on GitHub - 1 maintainer
chem-ant 0.0.9 💰
Select materials to output molecules similar to the target molecule with MCTS Solver and Genetic ...10 versions - Latest release: 5 months ago - 89 downloads last month - 2 stars on GitHub - 1 maintainer
molstruct 3.0.0
Convert chemical molecule data CSV files to structured data formats5 versions - Latest release: about 3 years ago - 1 dependent repositories - 46 downloads last month - 4 stars on GitHub - 1 maintainer
pykrev 1.2.4
FT-MS data analysis in Python14 versions - Latest release: about 1 year ago - 1 dependent repositories - 61 downloads last month - 9 stars on GitHub - 1 maintainer
nams 0.9.2
NAMS is a module to calculate similarity between molecules based on the structural/topological re...2 versions - Latest release: over 10 years ago - 1 dependent repositories - 76 downloads last month - 1 maintainer
Top 7.8% on pypi.org
14 versions - Latest release: 4 days ago - 1 dependent package - 2 dependent repositories - 2.76 thousand downloads last month - 92 stars on GitHub - 1 maintainer
pmapper 1.1.1
pmapper: 3D pharmacophore hashes and fingerprints14 versions - Latest release: 4 days ago - 1 dependent package - 2 dependent repositories - 2.76 thousand downloads last month - 92 stars on GitHub - 1 maintainer
chemprice 1.1.0
A python library for chemical price Search.6 versions - Latest release: 4 months ago - 62 downloads last month - 2 stars on GitHub - 2 maintainers
pytoda 1.1.4
pytoda: PaccMann PyTorch Dataset Classes.8 versions - Latest release: 2 months ago - 5 dependent repositories - 113 downloads last month - 25 stars on GitHub - 1 maintainer
Top 2.6% on pypi.org
74 versions - Latest release: 3 months ago - 8 dependent packages - 22 dependent repositories - 12.5 thousand downloads last month - 347 stars on GitHub - 2 maintainers
chembl-webresource-client 0.10.9
Python client fot accessing ChEMBL webservices.74 versions - Latest release: 3 months ago - 8 dependent packages - 22 dependent repositories - 12.5 thousand downloads last month - 347 stars on GitHub - 2 maintainers
kcfconvoy 0.0.5
KCF-Convoy: efficient Python package to convert KCF chemical substructure fingerprints4 versions - Latest release: over 4 years ago - 1 dependent repositories - 35 downloads last month - 5 stars on GitHub - 2 maintainers
moldrug 3.7.2
MolDrug (from Molecule to Drug) is a python package for drug-oriented optimization on the chemica...34 versions - Latest release: 4 months ago - 1 dependent repositories - 275 downloads last month - 10 stars on GitHub - 1 maintainer
pharmd 0.1.1
PharMD: MD pharmacophores and virtual screening2 versions - Latest release: over 4 years ago - 1 dependent repositories - 38 downloads last month - 26 stars on GitHub - 1 maintainer
Top 2.7% on pypi.org
8 versions - Latest release: almost 5 years ago - 22 dependent packages - 48 dependent repositories - 10.8 thousand downloads last month - 330 stars on GitHub - 1 maintainer
mordred 1.2.0
molecular descriptor calculator8 versions - Latest release: almost 5 years ago - 22 dependent packages - 48 dependent repositories - 10.8 thousand downloads last month - 330 stars on GitHub - 1 maintainer
Top 7.2% on pypi.org
5 versions - Latest release: over 4 years ago - 6 dependent repositories - 343 downloads last month - 566 stars on GitHub - 1 maintainer
grakel-dev 0.1a6
A scikit-learn compatible library for graph kernels5 versions - Latest release: over 4 years ago - 6 dependent repositories - 343 downloads last month - 566 stars on GitHub - 1 maintainer
Top 3.3% on pypi.org
5 versions - Latest release: 7 months ago - 6 dependent packages - 21 dependent repositories - 3.63 thousand downloads last month - 566 stars on GitHub - 1 maintainer
grakel 0.1.10
A scikit-learn compatible library for graph kernels5 versions - Latest release: 7 months ago - 6 dependent packages - 21 dependent repositories - 3.63 thousand downloads last month - 566 stars on GitHub - 1 maintainer
moll 0.1.12
12 versions - Latest release: 3 months ago - 66 downloads last month - 0 stars on GitHub - 1 maintainermoleculapy 1.1.2
A command-line application that utilizes the RDKit library to compute molecular descriptors and f...5 versions - Latest release: 16 days ago - 224 downloads last month - 0 stars on GitHub - 1 maintainer
bokehmol 0.1.1
Tools for plotting molecules in Bokeh5 versions - Latest release: 2 months ago - 402 downloads last month - 4 stars on GitHub - 1 maintainer
marsilea 0.3.6
Declarative creation of composable visualization9 versions - Latest release: 14 days ago - 1 dependent package - 1 dependent repositories - 314 downloads last month - 40 stars on GitHub - 1 maintainer
linchemin 2.2.5
Toolkit to create, manipulate, and query networks of Chemical Reactions and Chemicals6 versions - Latest release: 7 months ago - 51 downloads last month - 26 stars on GitHub - 2 maintainers
debio 0.1.1
A community-curated, decentralized biomedical ontology.5 versions - Latest release: over 1 year ago - 36 downloads last month - 0 stars on GitHub - 1 maintainer
som-pbc 1.0.2
self organizing maps with periodic boundary conditions3 versions - Latest release: almost 3 years ago - 1 dependent repositories - 43 downloads last month - 133 stars on GitHub - 1 maintainer
signaturizer 1.1.14
Generate Chemical Checker signatures from molecules SMILES.14 versions - Latest release: 27 days ago - 1 dependent repositories - 157 downloads last month - 1 maintainer
py-perceptabat-cv 1.2.2
Python wrapper and API for ACD/Percepta Batch with parallel processing support3 versions - Latest release: over 3 years ago - 1 dependent repositories - 20 downloads last month - 2 stars on GitHub - 1 maintainer
pychemy 0.5.0
Helpers for handling chemical formulas in Python5 versions - Latest release: over 5 years ago - 2 dependent repositories - 44 downloads last month - 5 stars on GitHub - 2 maintainers
pychembldb 0.4.1
ChEMBLdb interface for Python12 versions - Latest release: over 4 years ago - 2 dependent repositories - 38 downloads last month - 8 stars on GitHub - 1 maintainer
pybatchclassyfire 0.1.6
A python client for batch queries of the ClassyFire API7 versions - Latest release: about 4 years ago - 2 dependent repositories - 77 downloads last month - 7 stars on GitHub - 1 maintainer
pubchemprops 0.1.1
This is a simple wrapper for PubChem PUG REST API that helps to get various information from PubChem2 versions - Latest release: over 6 years ago - 1 dependent repositories - 30 downloads last month - 18 stars on GitHub - 1 maintainer
psikit 0.2.0
A thin wrapper library for Psi4 and RDKit5 versions - Latest release: over 3 years ago - 1 dependent repositories - 123 downloads last month - 88 stars on GitHub - 2 maintainers
Top 4.9% on pypi.org
24 versions - Latest release: 2 months ago - 2 dependent packages - 4 dependent repositories - 4.44 thousand downloads last month - 320 stars on GitHub - 1 maintainer
prolif 2.0.3
Interaction Fingerprints for protein-ligand complexes and more24 versions - Latest release: 2 months ago - 2 dependent packages - 4 dependent repositories - 4.44 thousand downloads last month - 320 stars on GitHub - 1 maintainer
olsapy 2.0.1
a package for orthogonal linear separation analysis (OLSA)2 versions - Latest release: over 3 years ago - 1 dependent repositories - 18 downloads last month - 1 maintainer
mordred-web 0.3.4
molecular descriptor calculator web UI7 versions - Latest release: about 6 years ago - 1 dependent repositories - 34 downloads last month - 10 stars on GitHub - 1 maintainer
metadisassembler 0.1.0
The Metabolic Disassembler9 versions - Latest release: over 4 years ago - 1 dependent repositories - 57 downloads last month - 3 stars on GitHub - 2 maintainers
massa-algorithm 0.9.2
MASSA Algorithm is a Python package to separate data sets of molecules into training and test set...10 versions - Latest release: 8 months ago - 1 dependent repositories - 76 downloads last month - 4 stars on GitHub - 1 maintainer
marsi 0.3.5
marsi - Metabolite Analogues for Rational Strain Improvement5 versions - Latest release: over 6 years ago - 1 dependent repositories - 14 downloads last month - 0 stars on GitHub - 1 maintainer
isoenum 0.4.1
InChI generator.12 versions - Latest release: almost 5 years ago - 1 dependent repositories - 22 downloads last month - 3 stars on GitHub - 2 maintainers
geneutil 0.0.11
a package for handling genes1 version - Latest release: over 2 years ago - 1 dependent repositories - 3 downloads last month - 1 maintainer
enan 1.0.4
a package for ENrichment ANalyses3 versions - Latest release: over 2 years ago - 1 dependent repositories - 47 downloads last month - 1 maintainer
depro 0.0.12
a package for Decomposition of Profile Data4 versions - Latest release: almost 3 years ago - 1 dependent repositories - 41 downloads last month - 1 maintainer
Top 6.3% on pypi.org
14 versions - Latest release: 21 days ago - 2 dependent packages - 3 dependent repositories - 1.05 thousand downloads last month - 178 stars on GitHub - 1 maintainer
crem 0.2.12
CReM: chemically reasonable mutations framework14 versions - Latest release: 21 days ago - 2 dependent packages - 3 dependent repositories - 1.05 thousand downloads last month - 178 stars on GitHub - 1 maintainer
Top 9.6% on pypi.org
9 versions - Latest release: over 1 year ago - 2 dependent repositories - 419 downloads last month - 95 stars on GitHub - 1 maintainer
chemplot 1.2.1
A python library for chemical space visualization.9 versions - Latest release: over 1 year ago - 2 dependent repositories - 419 downloads last month - 95 stars on GitHub - 1 maintainer
chemosanitizer 0.0.2
A python script to parallelize basic MolVS functions2 versions - Latest release: over 3 years ago - 9 downloads last month - 1 maintainer
chemicalchecker 1.0.3
Chemical Checker Package.4 versions - Latest release: 10 months ago - 28 downloads last month - 1 maintainer
conphar 0.1.1
PyPharmer2 versions - Latest release: 9 months ago - 24 downloads last month - 4 stars on GitHub - 1 maintainer
bio2bel-chebi 0.2.1
A package for converting ChEBI to BEL12 versions - Latest release: over 5 years ago - 1 dependent repositories - 131 downloads last month - 1 stars on GitHub - 2 maintainers
heatgraphy 0.2.1
Create x-layout visualization3 versions - Latest release: about 1 year ago - 1 dependent package - 28 downloads last month - 40 stars on GitHub - 1 maintainer
salam 0.0.1a2
A Python tool for High-Throughput Virtual Screening of organic molecules driven by structural mut...2 versions - Latest release: almost 2 years ago - 1 dependent repositories - 15 downloads last month - 1 stars on GitHub - 1 maintainer
graphkit-learn 0.2.1
A Python library for graph kernels, graph edit distances, and graph pre-images28 versions - Latest release: about 1 year ago - 1 dependent repositories - 193 downloads last month - 118 stars on GitHub - 1 maintainer
global-chem-extensions 1.0.3 💰
Extensions for functionality for global chem138 versions - Latest release: over 1 year ago - 1 dependent package - 1 dependent repositories - 865 downloads last month - 2 stars on GitHub - 1 maintainer
biocatalyzer 0.1.1b0
BioCatalyzer: a rule-based tool to predict compound metabolism9 versions - Latest release: over 1 year ago - 18 downloads last month - 4 stars on GitHub - 1 maintainer
ctfile 0.1.12
Parser for chemical table file (CTfile) a family of text-based chemical file formats (e.g. Molfil...13 versions - Latest release: about 2 years ago - 1 dependent package - 3 dependent repositories - 64 downloads last month - 7 stars on GitHub - 3 maintainers
deepmol 1.1.2
DeepMol: a python-based machine and deep learning framework for drug discovery19 versions - Latest release: 3 months ago - 253 downloads last month - 83 stars on GitHub - 2 maintainers
Related Keywords
cheminformatics
20
bioinformatics
15
chemistry
12
python
11
rdkit
10
transcriptome
4
drug-design
4
omics
4
graph-kernels
3
smiles
3
data-visualization
3
science
3
machine-learning
3
deep-learning
3
chemical-space
3
heatmap
2
matplotlib
2
data-science
2
oncoprint
2
physics
2
scikit-learn
2
graph-similarity-algorithms
2
graph-similarity
2
molecular similarity
2
graph-mining
2
pharmacophore
2
graph-classification
2
QSAR
2
metabolism
2
pip
2
biology
2
docking
2
bioactivity
2
signatures
2
chemicalchecker
2
python3
2
molecules
2
upset
2
visualization
2
x-layout
2
acd
1
parallel
1
perceptabat
1
training
1
natural product
1
metabolic pathway
1
mass
1
biosynthesis
1
spectrometry
1
analysis
1
molecular
1
formulas
1
mass-spectrometry
1
ClassyFire
1
api-client
1
ontologies
1
pubchem
1
search
1
compound
1
api
1
databases
1
molecular-dynamics
1
psi
1
mdanalysis
1
interaction-fingerprint
1
quantum-chemistry
1
biological-expression-language
1
chebi
1
terminology
1
machine learning
1
high-throughput virtual screening
1
structural mutation
1
graph-edit-distance
1
graph-representations
1
kernel-methods
1
paths
1
pattern-recognition
1
pre-image
1
walks
1
plotly
1
organic
1
reaction-rules
1
enzymatic-reactions
1
CTfile
1
SDfile
1
Molfile
1
Ctab
1
ctfile
1
molfile
1
sdfile
1
drug-discovery
1
test
1
training-test
1
dataset preparation
1
data set preparation
1
InChI
1
InChIKey
1
isoenum
1
isotopic
1
enumerator
1