Topic · cheminformatics

cheminformatics

Tracked open-source repos tagged cheminformatics, sorted by stars.

Repos

14

Total stars

14,790

Avg. stars

1,056

Share

0.00%

Topics that frequently appear alongside cheminformatics on the same repo.

Recent risers

Repos created in the last 90 days, tagged cheminformatics.

No new repos tagged with this topic in the last 90 days.

#1
rdkit ↗@rdkitHTML
The official sources for the RDKit library
★ 3,574+9Star change over the last 7 days
#2
openbabel ↗@openbabelC++
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
★ 1,378+1Star change over the last 7 days
#3
TDC ↗@mims-harvardJupyter Notebook
Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science
★ 1,279+3Star change over the last 7 days
#4
scipipe ↗@scipipeGo
Robust, flexible and resource-efficient pipelines using Go and the commandline
★ 1,109+0Star change over the last 7 days
#5
gnina ↗@gninaC++
A deep learning framework for molecular docking
★ 969+2Star change over the last 7 days
#6
aizynthfinder ↗@MolecularAIPython
A tool for retrosynthetic planning
★ 888+4Star change over the last 7 days
#7
awesome-cheminformatics ↗@hsiaoyi0504
A curated list of Cheminformatics libraries and software.
★ 884+1Star change over the last 7 days
#8
ketcher ↗@epamTypeScript
Web-based molecule sketcher
★ 880+6Star change over the last 7 days
#9
REINVENT4 ↗@MolecularAIPython
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
★ 853+5Star change over the last 7 days
#10
thermo ↗@CalebBellPython
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
★ 784+4Star change over the last 7 days
#11
cdk ↗@cdkJava
The Chemistry Development Kit
★ 605+4Star change over the last 7 days
#12
datamol ↗@datamol-ioPython
Molecular Processing Made Easy.
★ 547+2Star change over the last 7 days
#13
ProLIF ↗@chemosim-labPython
Interaction Fingerprints for protein-ligand complexes and more
★ 537+2Star change over the last 7 days
#14
PubChemPy ↗@mcs07Python
Python wrapper for the PubChem PUG REST API.
★ 514+0Star change over the last 7 days

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