All tags
Catalogue tag

#drug-discovery

Every repository in the public record carrying this tag — from its GitHub topics or the keywords its package registries publish. Health is measured under the same versioned methodology as the rest of the record.

7 records
Tagged “drug-discovery”Ranked by health index
PyPI
70Goodhealth index
chemprop/chemprop
Message Passing Neural Networks for Molecule Property Prediction
Python★ 2,401↓ 117.7K/moJul 16, 2026
Custom licenseJul 16, 2026 · metrics 1.13.0
crates.io
61Moderatehealth index
kent-tokyo/chematic
A pure-Rust cheminformatics library targeting RDKit feature parity — zero C/C++ by default.
Rust★ 17Jul 17, 2026
Apache-2.0Jul 17, 2026 · metrics 1.13.0
PyPI
59Moderatehealth index
jwohlwend/boltz
Official repository for the Boltz biomolecular interaction models
Python★ 4,118Jul 17, 2026
MITJul 17, 2026 · metrics 1.13.0
PyPI
56Moderatehealth index
PDBeurope/rellig
Identifies relevant ligands in the PDB
Python★ 9Jul 15, 2026
Apache-2.0Jul 15, 2026 · metrics 1.13.0
PyPI
55Moderatehealth index
BioPandas/biopandas
Working with molecular structures in pandas DataFrames
Python★ 756Jul 21, 2026
BSD-3-ClauseJul 21, 2026 · metrics 1.13.0
npm
45At riskhealth index
ghost---shadow/vamos-hose
No repository description published.
JavaScript · Python★ 0↓ 77/moJul 15, 2026
AGPL-3.0Jul 15, 2026 · metrics 1.13.0
43At riskhealth index
thunlp-mt/dymean
This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"
Python · C++★ 133Jul 17, 2026
MITJul 17, 2026 · metrics 1.13.0