kimjc95

kimjc95's Stars

• openmm/openmm

  OpenMM is a toolkit for molecular simulation using high performance GPU code.

  Language:C++1.5k842.8k533

• chaidiscovery/chai-lab

  Chai-1, SOTA model for biomolecular structure prediction

  Language:Python1.5k23130193

• openmm/pdbfixer

  PDBFixer fixes problems in PDB files

  Language:Python50614202116

• pablo-arantes/making-it-rain

  Cloud-based molecular simulations for everyone

  Language:Rich Text Format40417123112

• openmm/openmmforcefields

  CHARMM and AMBER forcefields for OpenMM (with small molecule support)

  Language:Python2701619681

• openmm/openmm-ml

  High level API for using machine learning models in OpenMM simulations

  Language:Python86135526

• openmm/openmm-setup

  An application for configuring and running simulations with OpenMM

  Language:HTML6122113

• RyanZR/labodock

  LABODOCK: A Colab-Based Molecular Docking Tools

  Language:Jupyter Notebook433510

• YAMACS-SML/YAMACS

  Yasara plugins for Gromacs users

  Language:Python25513

• openmm/openmm-xtb

  OpenMM plugin to interface with XTB

  Language:C++13452

• mc-robinson/LigParGen

  Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.

  Language:Python11314

• kimjc95/addNewResidue.py

  This code adds custom-made amino acids to the GROMACS forcefield directory.

  Language:Python8203

• kimjc95/computational-chemistry

  Google Colaboratory Notebooks for Computational Biochemistry

  Language:Jupyter Notebook6112

• Valdes-Tresanco-MS/Making-it-rain

  Cloud-based molecular simulations for everyone

  Language:Rich Text Format6003

• lkagami/geo_measures_pymol

  Geo-measures Pymol plugin

  Language:Python5160