Autodesk / notebook-molecular-visualization

Related projects ⓘ

Alternatives and complementary repositories for notebook-molecular-visualization

• Autodesk / molecular-design-toolkit
  Notebook-integrated tools for molecular simulation and visualization
  ☆165Updated 6 years ago
• nglviewer / mdsrv
  MD trajectory server
  ☆35Updated last year
• avirshup / py3dmol
  ☆103Updated 8 years ago
• Mishima-syk / psikit
  psi4+RDKit
  ☆97Updated last year
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆52Updated this week
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆32Updated last year
• whitead / molbloom
  Molecular bloom filter tool
  ☆112Updated 7 months ago
• choderalab / yank
  An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
  ☆181Updated last year
• insilichem / pychimera
  Use UCSF Chimera Python API in a standard interpreter
  ☆58Updated 5 years ago
• whitead / molcloud
  Make a bunch of molecules
  ☆93Updated 10 months ago
• choderalab / openmoltools
  An open set of tools for automating tasks relating to small molecules
  ☆63Updated 3 years ago
• openmm / openmm-ml
  High level API for using machine learning models in OpenMM simulations
  ☆82Updated 3 months ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆45Updated 6 years ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆87Updated last year
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆63Updated last month
• rinikerlab / Ensembler
  Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…
  ☆51Updated 6 months ago
• michellab / Sire
  Sire Molecular Simulations Framework
  ☆95Updated last year
• openforcefield / openff-evaluator
  A physical property evaluation toolkit from the Open Forcefield Consortium.
  ☆55Updated this week
• jchodera / statmech-for-biochemists
  A primer on statistical mechanics for biochemists
  ☆46Updated 2 years ago
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆130Updated last week
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆63Updated 4 years ago
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆122Updated 2 weeks ago
• gph82 / mdciao
  mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
  ☆30Updated last week
• michellab / BioSimSpace
  Code and resources for the EPSRC BioSimSpace project.
  ☆77Updated 2 weeks ago
• MolSSI / covid
  MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store
  ☆28Updated 11 months ago
• rcsb / py-mmcif
  mmCIF Core Access Library
  ☆38Updated this week
• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆109Updated 5 years ago
• Merck / DeepNeuralNet-QSAR
  ☆63Updated 6 years ago
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• openmm / openmm-plumed
  OpenMM plugin to interface with PLUMED
  ☆59Updated last week