+41 stars
from 455 · score 3.74
Trending repositories
Ranked by Attention Score: stars gained over the last 7 complete days
9 repositories by Attention Score · Oct 29, 2026 – Nov 4, 2026 (UTC)
2.deepchem / deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
- drug-discovery
- quantum-chemistry
- deep-learning
- biology
- materials-science
- hacktoberfest
+19 stars
from 7,104 · score 3.00
3.jwohlwend / boltz
Official repository for the Boltz biomolecular interaction models
- binding-prediction
- drug-discovery
- protein-structure
+14 stars
from 4,278 · score 2.71
4.gcorso / DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
- diffusion-models
- docking
- binding
- computational-biology
- equivariance
- machine-learning
- +2 more
+9 stars
from 1,590 · score 2.30
5.chainer / chainer-chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
- deep-learning
- chemistry
- neural-network
- biology
- chainer
- python
- +1 more
+3 stars
from 712 · score 1.39
6.Mariewelt / OpenChem
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
- computational-chemistry
- computational-biology
- deep-learning
- deep-neural-networks
- graph-convolutional-networks
- drug-discovery
- +5 more
+2 stars
from 758 · score 1.10
+2 stars
from 536 · score 1.10
8.isayev / ReLeaSE
Deep Reinforcement Learning for de-novo Drug Design
- deeplearning
- reinforcement-learning
- cheminformatics
- molecular-modeling
- drug-discovery
- qsar
+1 stars
from 374 · score 0.69
9.dan2097 / opsin
Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion
+1 stars
from 244 · score 0.69