Alternatives and similar repositories for DiAMoNDBack:

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

• noegroup / flowm
  Flow-matching for coarse graining of miniproteins.
  ☆17Updated 2 years ago
• luigibonati / deep-learning-slow-modes
  Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"
  ☆20Updated 9 months ago
• seonghann / tsdiff
  Diffusion model for transition state prediction
  ☆32Updated last year
• huhlim / cg2all
  Convert coarse-grained protein structure to all-atom model
  ☆37Updated 9 months ago
• learningmatter-mit / GenZProt
  ☆27Updated last year
• torchmd / torchmd-protein-thermodynamics
  Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics
  ☆78Updated 2 months ago
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆45Updated last week
• shirtsgroup / cg_openmm
  Tools to build coarse grained models and perform simulations with OpenMM
  ☆22Updated 2 years ago
• tiwarylab / alphafold2rave
  ☆68Updated 8 months ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆48Updated this week
• ghorbanimahdi73 / GraphVampNet
  ☆15Updated 2 years ago
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025]
  ☆56Updated 2 months ago
• samplchallenges / SAMPL9
  ☆29Updated last year
• forlilab / waterkit
  Tool to predict water molecules placement and energy in ligand binding sites
  ☆28Updated last week
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆51Updated last year
• tommyhuangthu / FASPR
  an ultra-fast and accurate program for deterministic protein sidechain packing
  ☆29Updated last month
• noegroup / reform
  A simple implementation of replica exchange MD simulations for OpenMM.
  ☆23Updated 3 years ago
• DingGroup / BayesMBAR
  Bayesian Multistate Bennett Acceptance Ratio Method
  ☆13Updated 3 months ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆36Updated last week
• maccallumlab / martini_openmm
  ☆53Updated last year
• tiwarylab / DDPM_REMD
  Denoising diffusion probabilistic models for replica exchange
  ☆23Updated 3 years ago
• luigibonati / masterclass-plumed
  ☆11Updated 9 months ago
• choderalab / qmlify
  ☆43Updated 3 years ago
• smu-tao-group / LAST
  LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories
  ☆12Updated 2 years ago
• wwang2 / CoarseGrainingVAE
  Geometric super-resolution for molecular geometries
  ☆39Updated 2 years ago
• HITS-MCM / gromacs-ramd
  Random Acceleration Molecular Dynamics in GROMACS
  ☆36Updated 8 months ago
• michellab / BioSimSpaceTutorials
  ☆25Updated last year
• JingHuangLab / openmm_deepmd_plugin
  ☆21Updated 7 months ago
• dongdawn / rid
  rid
  ☆20Updated 3 years ago
• openforcefield / ccpbiosim-2023
  Materials for 2023 workshop at CCPBioSim Training Week https://www.ccpbiosim.ac.uk/events/upcoming-events/eventdetail/104/-/training-week
  ☆30Updated last year