1.3dmol / 3Dmol.js
WebGL accelerated JavaScript molecular graphics library
- molecular-graphics
- molecular-modeling
- computational-biology
- computational-chemistry
+72 stars
from 964 · score 4.29
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2.kexinhuang12345 / DeepPurpose
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- drug-repurposing
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3.seyonechithrananda / bert-loves-chemistry
bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
- huggingface
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- chemical-smiles-data
+11 stars
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4.isayev / ReLeaSE
Deep Reinforcement Learning for de-novo Drug Design
- deeplearning
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