1.3dmol / 3Dmol.js
WebGL accelerated JavaScript molecular graphics library
- molecular-graphics
- molecular-modeling
- computational-biology
- computational-chemistry
+14 stars
from 1,022 · score 2.71
Trending repositories
Ranked by Attention Score: stars gained over the last 30 complete days
5 repositories by Attention Score · Oct 6, 2026 – Nov 4, 2026 (UTC)
2.kexinhuang12345 / DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
- drug-repurposing
- deep-learning
- drug-target-interactions
- toolkit
- covid19
- virtual-screening
- +13 more
+9 stars
from 1,192 · score 2.30
3.isayev / ReLeaSE
Deep Reinforcement Learning for de-novo Drug Design
- deeplearning
- reinforcement-learning
- cheminformatics
- molecular-modeling
- drug-discovery
- qsar
+2 stars
from 373 · score 1.10
4.seyonechithrananda / bert-loves-chemistry
bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
- huggingface
- bert
- chemical-modelling
- chemical-smiles-data
+1 stars
from 501 · score 0.69
5.connorcoley / rdchiral
Wrapper for RDKit's RunReactants to improve stereochemistry handling
+1 stars
from 190 · score 0.69