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HTMD: Programming Environment for Molecular Discovery

Rich Text Format 255 58 Updated Oct 11, 2024

Developer AI Persona Search Agent

Python 2,009 132 Updated Jul 24, 2024

EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling

Python 11 1 Updated Oct 8, 2024

Adaptive landscape flattening scripts for MSLD

Python 12 5 Updated Jun 10, 2024

Reaction SMILES-AA mapping via language modelling

Python 29 3 Updated Sep 11, 2024

Style guides for Google-originated open-source projects

HTML 37,349 13,301 Updated Sep 5, 2024

autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis

Python 16 5 Updated Aug 25, 2021