Alternatives and similar repositories for hydride

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

• fmaschietto / mdigest
  ☆32Updated 8 months ago
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆48Updated 2 weeks ago
• tiwarylab / alphafold2rave
  ☆68Updated 11 months ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆39Updated 3 weeks ago
• HITS-MCM / gromacs-ramd
  Random Acceleration Molecular Dynamics in GROMACS
  ☆37Updated 11 months ago
• KULL-Centre / DEERpredict
  Software for the prediction of DEER and PRE data from conformational ensembles.
  ☆12Updated last month
• svats73 / mdml
  mdml: Deep Learning for Molecular Simulations
  ☆42Updated last month
• aethertier / secstructartist
  A python module to plot secondary structure schemes
  ☆25Updated last year
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆58Updated 2 years ago
• MiaoLab20 / pyreweighting
  ☆28Updated last year
• Gallicchio-Lab / openmm-atmmetaforce-plugin
  An OpenMM plugin that implements the Alchemical Transfer Potential
  ☆40Updated 2 years ago
• openmm / openmm_workshops
  ☆36Updated 9 months ago
• aivant / peppr
  It's a package for evaluation of predicted poses, right?
  ☆57Updated last week
• tommyhuangthu / FASPR
  Fast, accurate, and deterministic protein side-chain packing
  ☆31Updated 3 months ago
• pstansfeld / MemProtMD
  ☆42Updated last month
• choderalab / qmlify
  ☆44Updated 3 years ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆96Updated 9 months ago
• THGLab / HiQBind
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆46Updated last month
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆61Updated last week
• Honza-R / PL-REX
  Data set of protein-ligand complexes with reliable experimental structures and affinities
  ☆32Updated 4 months ago
• KULL-Centre / CALVADOS
  ☆66Updated last week
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆48Updated last week
• shirtsgroup / cg_openmm
  Tools to build coarse grained models and perform simulations with OpenMM
  ☆24Updated 2 years ago
• michellab / BioSimSpaceTutorials
  ☆25Updated last year
• OpenFreeEnergy / IndustryBenchmarks2024
  Repository for the 2024 OpenFE industry benchmark efforts
  ☆22Updated this week
• forlilab / waterkit
  Tool to predict water molecules placement and energy in ligand binding sites
  ☆28Updated last week
• xuhuihuang / GME_tutorials
  Tutorials for non-Markovian dynamic models (qMSM and IGME) to study protein dynamics.
  ☆23Updated 10 months ago
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆41Updated last year
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆85Updated last year
• wolberlab / dynophores
  Dynamic pharmacophore modeling of molecular interactions
  ☆35Updated last year