Alternatives and similar repositories for BME

Users that are interested in BME are comparing it to the libraries listed below

• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆74Updated this week
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆100Updated 10 months ago
• KULL-Centre / CALVADOS
  ☆67Updated last month
• KULL-Centre / DEERpredict
  Software for the prediction of DEER and PRE data from conformational ensembles.
  ☆12Updated 2 months ago
• tiwarylab / alphafold2rave
  ☆68Updated last year
• bowman-lab / enspara
  Modeling molecular ensembles with scalable data structures and parallel computing
  ☆36Updated last week
• biotite-dev / hydride
  Adding hydrogens to molecular models
  ☆45Updated 8 months ago
• OpenFreeEnergy / alchemiscale
  a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home
  ☆28Updated this week
• openmm / openmm_workshops
  ☆37Updated 10 months ago
• Psivant / stormm
  STORMM: Structure and TOpology Replica Molecular Mechanics
  ☆73Updated last month
• maccallumlab / meld
  Modeling with limited data
  ☆59Updated last week
• choderalab / qmlify
  ☆44Updated 3 years ago
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆83Updated 3 weeks ago
• 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…
  ☆53Updated last year
• paulrobustelli / Force-Fields
  Force Fields
  ☆64Updated 5 months ago
• julie-forman-kay-lab / IDPConformerGenerator
  Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space
  ☆23Updated this week
• Degiacomi-Lab / molearn
  protein conformational spaces meet machine learning
  ☆46Updated 3 weeks ago
• tekpinar / correlationplus
  A Python package to calculate, visualize and analyze correlation maps of proteins.
  ☆41Updated 2 months ago
• pstansfeld / MemProtMD
  ☆45Updated 2 months ago
• OpenFreeEnergy / cinnabar
  Package for consistent reporting of relative free energy results
  ☆39Updated last month
• choderalab / espaloma-charge
  Standalone charge assignment from Espaloma framework.
  ☆40Updated last year
• greener-group / GB99dms
  The GB99dms implicit solvent force field for proteins, plus scripts and data
  ☆23Updated last month
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆51Updated last week
• maccallumlab / martini_openmm
  ☆54Updated 2 years ago
• vuqv / cosmo
  COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM
  ☆12Updated last year
• noegroup / reform
  A simple implementation of replica exchange MD simulations for OpenMM.
  ☆24Updated 3 years ago
• uw-ipd / tmol
  TMol
  ☆39Updated this week
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆40Updated last week
• tommyhuangthu / FASPR
  Fast, accurate, and deterministic protein side-chain packing
  ☆33Updated 4 months ago
• drorlab / pensa
  PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.
  ☆140Updated 5 months ago