WebGL accelerated JavaScript molecular graphics library
- molecular-graphics
- molecular-modeling
- computational-biology
- computational-chemistry
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a molecular descriptor calculator
Descriptor computation(chemistry) and (optional) storage for machine learning
The repository host gives no description.
A script to run structural alerts using the RDKit and ChEMBL
LLM for Drug Editing, ICLR 2024
- chatgpt
- conversation
- drug
- drug-discovery
ChemMine Tools: open source web framework for small molecule analysis
WebGL molecule viewer made with Babylon.js
Generative models for transcriptomic-driven or protein-driven molecular design (PaccMann^RL).
- deep-reinforcement-learning
- generative-model
- vae
- molecule-generation