Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
crates.io "chemistry" keyword
chemfiles 0.10.41
Modern library for chemistry trajectories reading and writing22 versions - Latest release: 3 months ago - 1 dependent package - 3 dependent repositories - 50.3 thousand downloads total - 13 stars on GitHub - 1 maintainer
lib_xch 0.13.0
Crate xch-ceb's official lib44 versions - Latest release: over 5 years ago - 1 dependent package - 25.8 thousand downloads total - 25 stars on GitHub - 1 maintainer
xch-ceb 0.5.2
XCH - Chemical Equation Balancer27 versions - Latest release: over 5 years ago - 16.6 thousand downloads total - 25 stars on GitHub - 1 maintainer
gchemol-core 0.1.7
Core chemical objects for gchemol15 versions - Latest release: 2 months ago - 3 dependent packages - 2 dependent repositories - 12.1 thousand downloads total - 0 stars on GitHub - 1 maintainer
gchemol-readwrite 0.1.11
Reading/writing chemical objects for gchemol19 versions - Latest release: 3 months ago - 2 dependent packages - 1 dependent repositories - 11.6 thousand downloads total - 0 stars on GitHub - 1 maintainer
gchemol-graph 0.1.6
Networkx-like API wrapper around petgraph9 versions - Latest release: 3 months ago - 2 dependent packages - 1 dependent repositories - 9.57 thousand downloads total - 1 stars on GitHub - 1 maintainer
bader 0.4.8
Multi-threaded Bader Charge Analysis18 versions - Latest release: 7 months ago - 6.11 thousand downloads total - 12 stars on GitHub - 1 maintainer
stoichkit 0.6.0
A stoichiometry toolkit15 versions - Latest release: over 2 years ago - 5.73 thousand downloads total - 8 stars on GitHub - 1 maintainer
feroxide 1.3.2
A basic chemistry simulator7 versions - Latest release: over 6 years ago - 1 dependent package - 5.56 thousand downloads total - 1 stars on GitHub - 1 maintainer
rustyms 0.8.3
A library to handle proteomic mass spectrometry data and match peptides to spectra.15 versions - Latest release: 2 months ago - 1 dependent package - 1 dependent repositories - 5.12 thousand downloads total - 10 stars on GitHub - 1 maintainer
castep_model_generator_backend 2.1.3
A rust-written backend lib for edit and generation of lattice 3D-models compatible with CASTEP an...21 versions - Latest release: 8 months ago - 4.99 thousand downloads total - 0 stars on GitHub - 1 maintainer
velvet-core 0.4.2
Core feature library for the Velvet simulation engine.10 versions - Latest release: over 3 years ago - 4 dependent packages - 1 dependent repositories - 4.94 thousand downloads total - 10 stars on GitHub - 1 maintainer
castep-model-core 0.2.9
The core module to parse, read, edit, and write 3D lattice models for castep and compatible with ...16 versions - Latest release: 10 months ago - 1 dependent package - 4.4 thousand downloads total - 2 stars on GitHub - 1 maintainer
periodic-table-on-an-enum 0.3.2
Complete periodic table, with melting point, density, atomic mass, electron configuration, oxidat...1 version - Latest release: over 3 years ago - 5 dependent packages - 3 dependent repositories - 3.93 thousand downloads total - 21 stars on GitHub - 1 maintainer
mendeleev 0.8.0
List of chemical elements, their isotopes, and their properties8 versions - Latest release: about 1 year ago - 2 dependent packages - 1 dependent repositories - 3.87 thousand downloads total - 2 stars on GitLab.com - 1 maintainer
xyzio 0.3.1
A simple xyz reader and writer library4 versions - Latest release: about 7 years ago - 1 dependent repositories - 3.57 thousand downloads total - 1 stars on GitHub - 1 maintainer
velvet 0.4.2
Classical atomistic simulation engine with a focus on user-friendliness and extensibility9 versions - Latest release: over 3 years ago - 3.19 thousand downloads total - 10 stars on GitHub - 1 maintainer
castep-periodic-table 0.3.2
Periodic-table-like database for relevant usage in CASTEP8 versions - Latest release: 26 days ago - 7 dependent packages - 2.64 thousand downloads total - 0 stars on GitHub - 1 maintainer
smiles-parser 0.4.1
SMILES (chemical formula) parser based on the OpenSMILES spec6 versions - Latest release: over 3 years ago - 1 dependent repositories - 2.29 thousand downloads total - 10 stars on GitHub - 1 maintainer
extxyz 0.2.0
A parser for files in the extended xyz format5 versions - Latest release: 3 months ago - 1 dependent package - 2.06 thousand downloads total - 0 stars on GitHub - 1 maintainer
unifac 0.1.5
Crate to calculate non-ideal vapor-liquid equilibria using UNIFAC model6 versions - Latest release: almost 3 years ago - 1 dependent repositories - 2.03 thousand downloads total - 1 stars on GitHub - 1 maintainer
scalc 0.2.1
A type that ensures calculation safety and prevents itself from overflow3 versions - Latest release: almost 5 years ago - 1.57 thousand downloads total - 25 stars on GitHub - 1 maintainer
gosh-dataset 0.2.1
short text for crates.io4 versions - Latest release: 3 months ago - 1 dependent package - 1.53 thousand downloads total - 2 stars on GitHub - 1 maintainer
velvet-external-data 0.1.0
Utilities to import and export external data formats.1 version - Latest release: over 3 years ago - 2 dependent packages - 1 dependent repositories - 1.52 thousand downloads total - 10 stars on GitHub - 1 maintainer
chemise 0.1.1
Chemise converts any string to a list of element symbols, reading as the given string (if possible).2 versions - Latest release: over 6 years ago - 1.5 thousand downloads total - 1 maintainer
acetylene_parser 0.1.0
A parser for chemical formulas.1 version - Latest release: over 7 years ago - 1.41 thousand downloads total - 1 stars on GitLab.com - 1 maintainer
chembasics 0.1.2
Things for chemistry3 versions - Latest release: over 4 years ago - 1.38 thousand downloads total - 7 stars on GitHub - 1 maintainer
pertable 0.1.4
Periodic table in rust4 versions - Latest release: 7 months ago - 1 dependent package - 1.21 thousand downloads total - 0 stars on GitHub - 1 maintainer
lumol 0.0.0
Extensible molecular simulation engine1 version - Latest release: over 7 years ago - 1.18 thousand downloads total - 182 stars on GitHub - 1 maintainer
velvet-cli 0.1.2
Command line tool built on top of the Velvet API3 versions - Latest release: over 3 years ago - 1.14 thousand downloads total - 10 stars on GitHub - 1 maintainer
lib-xch-ceb
Crate xch-ceb's library2 versions - Latest release: 29 days ago - 1.07 thousand downloads total - 25 stars on GitHub - 1 maintainer
periodicelements 0.1.2
A periodic information tool3 versions - Latest release: over 1 year ago - 1.04 thousand downloads total - 4 stars on GitHub - 1 maintainer
chem-parse 0.3.0
A parser for simple chemical forumulas.3 versions - Latest release: about 2 years ago - 1.04 thousand downloads total - 5 stars on GitHub - 1 maintainer
periodic-table-rs 0.1.2
A chemistry library written in Rust.3 versions - Latest release: over 1 year ago - 953 downloads total - 1 stars on GitHub - 1 maintainer
velvet-convert
Convert external file formats into Velvet data structures.3 versions - Latest release: 20 days ago - 3 dependent packages - 917 downloads total - 10 stars on GitHub - 1 maintainer
balance-tui 0.1.2
CLI/TUI chemical equation balancer3 versions - Latest release: 12 months ago - 899 downloads total - 2 stars on GitHub - 1 maintainer
trexio 2.4.2
TREXIO is an open-source file format and library developed for the storage and manipulation of da...3 versions - Latest release: 7 months ago - 895 downloads total - 42 stars on GitHub - 1 maintainer
feroxide-gui 1.0.1
A basic chemistry simulator (GUI)1 version - Latest release: over 6 years ago - 866 downloads total - 1 stars on GitHub - 1 maintainer
essential 0.1.1
Types for elements, ions and isotopes, the essential and basic units of the matter2 versions - Latest release: about 4 years ago - 854 downloads total - 0 stars on GitHub - 1 maintainer
boys 0.1.0
Different algorithms for calculating the Boys function1 version - Latest release: over 2 years ago - 1 dependent repositories - 828 downloads total - 0 stars on GitHub - 1 maintainer
molrs 0.1.1
A cheminformatics toolkit written in Rust.2 versions - Latest release: 7 months ago - 632 downloads total - 1 maintainer
rust-xyz-chem
A small crate for reading and writing chemical `.xyz` files.2 versions - Latest release: 11 days ago - 607 downloads total - 0 stars on GitHub - 1 maintainer
basechem 0.1.0
Minimalistic crate of base types for chemistry1 version - Latest release: over 4 years ago - 1 dependent package - 599 downloads total - 0 stars on GitHub - 1 maintainer
scientific-constants 0.1.1
Access, use and create scientific constants in your codebase!2 versions - Latest release: about 1 year ago - 583 downloads total - 1 maintainer
chymist 0.1.0
multipurpose chemistry library1 version - Latest release: about 3 years ago - 459 downloads total - 0 stars on GitHub - 1 maintainer
stoik 0.1.0
Libary to parse molecular formulas1 version - Latest release: 3 months ago - 452 downloads total - 1 stars on GitHub - 1 maintainer
tafelwerk 0.1.0
physics / chemisty simulator1 version - Latest release: over 1 year ago - 400 downloads total - 0 stars on GitHub - 1 maintainer
optrs 0.1.0
Forcefield molecule optimization1 version - Latest release: almost 2 years ago - 371 downloads total - 12 stars on GitHub - 1 maintainer
sifed 0.1.0
A tool1 version - Latest release: 10 months ago - 327 downloads total - 63 stars on GitHub - 1 maintainer
sife 0.1.0
A tool1 version - Latest release: 10 months ago - 325 downloads total - 63 stars on GitHub - 1 maintainer
cfh 0.1.0
A tool1 version - Latest release: 10 months ago - 317 downloads total - 63 stars on GitHub - 1 maintainer
sciencer 0.1.0
A tool1 version - Latest release: 10 months ago - 306 downloads total - 63 stars on GitHub - 1 maintainer
scientifiction 0.1.0
A tool1 version - Latest release: 10 months ago - 304 downloads total - 63 stars on GitHub - 1 maintainer
scienced 0.1.0
A tool1 version - Latest release: 10 months ago - 302 downloads total - 63 stars on GitHub - 1 maintainer
mathm 0.1.0
A tool1 version - Latest release: 10 months ago - 300 downloads total - 63 stars on GitHub - 1 maintainer
sifer 0.1.0
A tool1 version - Latest release: 10 months ago - 299 downloads total - 63 stars on GitHub - 1 maintainer
chizmo 0.1.0
Chemistry Gizmos - A toolbox for chemistry1 version - Latest release: 8 months ago - 285 downloads total - 0 stars on GitHub - 1 maintainer
gedent 0.1.0
A command-line interface to generate computational chemistry inputs1 version - Latest release: 4 months ago - 270 downloads total - 5 stars on GitHub - 1 maintainer
castep-cell-parser 0.1.0
A parser for `castep` input file format `.cell`1 version - Latest release: 22 days ago - 195 downloads total - 0 stars on GitHub - 1 maintainer
xyz-parse 0.1.2
Simple parser for the XYZ file format2 versions - Latest release: 4 days ago - 135 downloads total - 0 stars on GitHub - 1 maintainer
castep-cell-io
A crate helping to parse, edit and save `castep` input file format `.cell`1 version - 0 downloads total - 0 stars on GitHub - 1 maintainer
Related Keywords
physics
17
science
11
math
10
rust
10
chemical
8
javascript
8
nodejs
8
computational-chemistry
7
simulation
7
molecular-dynamics
6
materials-science
5
atomistic-simulation-engine
5
castep
5
parser
4
file
4
rust-crate
4
parser-library
4
equation-solver
4
balancer
4
chemical-formulas
4
periodic-table
3
trajectory
3
elements
3
atom
2
computational
2
model_generator
2
computational_chem
2
linear_algebra
2
chem
2
xyz
2
bio
2
cli
2
quantum-chemistry
2
mit
2
simulator
2
molecule
2
smiles
2
parsing
2
molecules
2
library
1
quantum
1
balance
1
tui
1
chemicals
1
periodictable
1
monte-carlo
1
molecular-simulation
1
wave-function
1
atoms
1
rdkit
1
cheminformatics
1
optimization
1
open-science
1
dft-calculations
1
input-generation
1
quantum-chemistry-automation
1
templates
1
parse
1
theoretical
1
graph
1
materials_science
1
analysis
1
multi-threading
1
stoichiometry
1
hacktoberfest
1
proforma
1
fragmentation
1
massspectrometry
1
spectra
1
mass-spectrometry
1
proteomics
1
isotope
1
atomic
1
chemical-data
1
opensmiles
1
formula
1
vle
1
thermodynamics
1
dataset
1
string-mainpulation
1
informatics
1
regex
1
formulas
1
atomistic-simulations
1