metma99

metma99's Stars

• plotly/plotly.py

  The interactive graphing library for Python :sparkles:

  Language:Python16.9k2763.1k2.6k

• google-deepmind/alphafold

  Open source code for AlphaFold 2.

  Language:Python13.4k2288872.4k

• RosettaCommons/RoseTTAFold

  This package contains deep learning models and related scripts for RoseTTAFold

  Language:Python2.1k59135444

• kyegomez/AlphaFold3

  Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch

  Language:Python783226105

• isayevlab/Auto3D_pkg

  Auto3D generates low-energy conformers from SMILES/SDF

  Language:Python163124036

• TUHH-TVT/openCOSMO-RS_py

  Language:Python666815

• usnistgov/COSMOSAC

  A Benchmark Implementation of COSMO-SAC

  Language:HTML5792633

• POVME/POVME3

  A pocket volume analyzer for use in protein modeling.

  Language:Python4974310

• mariaderrico/DPA

  The DPA package is the scikit-learn compatible implementation of the Density Peaks Advanced clustering algorithm. The algorithm provides robust and visual information about the clusters, their statistical reliability and their hierarchical organization.

  Language:Jupyter Notebook27369

• grimme-lab/CPCM-X

  Extended conductor-like polarizable continuum solvation model

  Language:Fortran192108

• oxpig/learning-from-docked-poses

  Language:Jupyter Notebook9104