Alternatives and similar repositories for hydride

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

• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆42Updated this week
• tiwarylab / alphafold2rave
  ☆69Updated last year
• openmm / openmm_workshops
  ☆39Updated last year
• paulrobustelli / Force-Fields
  Force Fields
  ☆64Updated 7 months ago
• choderalab / qmlify
  ☆44Updated 3 years ago
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆76Updated last week
• choderalab / espaloma-charge
  Standalone charge assignment from Espaloma framework.
  ☆40Updated last year
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆106Updated last year
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆58Updated last month
• maccallumlab / martini_openmm
  ☆56Updated 2 years ago
• fmaschietto / mdigest
  ☆34Updated 11 months ago
• OpenFreeEnergy / cinnabar
  Package for consistent reporting of relative free energy results
  ☆39Updated 2 weeks ago
• noegroup / reform
  A simple implementation of replica exchange MD simulations for OpenMM.
  ☆23Updated 4 years ago
• rowansci / egret-public
  ☆71Updated last month
• svats73 / mdml
  mdml: Deep Learning for Molecular Simulations
  ☆47Updated 3 months ago
• RMeli / spyrmsd
  📐 Symmetry-corrected RMSD in Python
  ☆102Updated last week
• openforcefield / ccpbiosim-2023
  Materials for 2023 workshop at CCPBioSim Training Week https://www.ccpbiosim.ac.uk/events/upcoming-events/eventdetail/104/-/training-week
  ☆31Updated last year
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆72Updated 5 months ago
• Gallicchio-Lab / openmm-atmmetaforce-plugin
  An OpenMM plugin that implements the Alchemical Transfer Potential
  ☆39Updated 2 years ago
• HITS-MCM / gromacs-ramd
  Random Acceleration Molecular Dynamics in GROMACS
  ☆39Updated last year
• mahendra-awale / medchem_moves
  ☆46Updated 4 years ago
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆63Updated 2 years ago
• michellab / a3fe
  Automated Adaptive Absolute alchemical Free Energy calculator
  ☆107Updated last week
• isayevlab / pKa-ANI
  Accurate prediction of protein pKa with representation learning
  ☆43Updated 7 months ago
• pfizer-opensource / TorsionNet
  A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM
  ☆39Updated 2 years ago
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆83Updated 2 months ago
• PDBeurope / ccdutils
  A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…
  ☆68Updated last week
• samplchallenges / SAMPL9
  ☆30Updated last year
• Ferg-Lab / DiAMoNDBack
  DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces
  ☆19Updated 4 months ago
• smu-tao-group / LAST
  LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories
  ☆12Updated 2 years ago