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@RosettaCommons @BCLCommons

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lucidrains / alphafold3-pytorch

Implementation of Alphafold 3 from Google Deepmind in Pytorch

Python 1,337 159 Updated Jan 22, 2025

BCLCommons / bcl

The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity/property relationship (QSAR/QSPR) modeling. The…

C++ 23 19 Updated Feb 14, 2024

ParmEd / ParmEd

Parameter/topology editor and molecular simulator

Python 403 150 Updated Oct 30, 2024