Alternatives and similar repositories for alphafold2rave

Users that are interested in alphafold2rave are comparing it to the libraries listed below

• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆58Updated last week
• huhlim / cg2all
  Convert coarse-grained protein structure to all-atom model
  ☆46Updated 5 months ago
• fmaschietto / mdigest
  ☆34Updated last year
• MiaoLab20 / pyreweighting
  ☆31Updated 2 years ago
• BrooksResearchGroup-UM / pyCHARMM-Workshop
  pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…
  ☆72Updated 2 months ago
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆88Updated 4 months ago
• paulrobustelli / Force-Fields
  Force Fields
  ☆66Updated 10 months ago
• KULL-Centre / CALVADOS
  ☆78Updated last month
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆91Updated 2 years ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆29Updated 2 weeks ago
• patrickbryant1 / RareFold
  Structure prediction and design of proteins with noncanonical amino acids
  ☆112Updated last week
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆84Updated 3 months ago
• pstansfeld / MemProtMD
  ☆45Updated 2 weeks ago
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆68Updated 2 years ago
• huhlim / alphafold-multistate
  ☆41Updated last year
• msmbuilder / msmbuilder2022
  Statistical models for biomolecular dynamics
  ☆39Updated 6 months ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆35Updated 4 months ago
• wolberlab / mdpath
  MDPath - A tool for calculating allosteric communication pathways in proteins by analyzing the mutual information of residue dihedral ang…
  ☆26Updated 3 weeks ago
• RUBi-ZA / MD-TASK
  Tool suite for analysing molecular dynamics trajectories using network analysis and PRS
  ☆52Updated 6 months ago
• THGLab / HiQBind
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆60Updated 3 weeks ago
• KULL-Centre / _2024_Cao_CALVADOSCOM
  ☆19Updated 7 months ago
• maccallumlab / martini_openmm
  ☆58Updated 2 years ago
• svats73 / mdml
  mdml: Deep Learning for Molecular Simulations
  ☆47Updated 6 months ago
• Gervasiolab / OpenBPMD
  ☆68Updated 2 years ago
• giacomo-janson / idpsam
  Generate intrinsically disordered peptide conformations via machine learning
  ☆24Updated last year
• tommyhuangthu / FASPR
  Fast, accurate, and deterministic protein side-chain packing
  ☆36Updated 9 months ago
• bunzela / AIzymes
  ☆61Updated last month
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆23Updated last year
• plinder-org / runs-n-poses
  A benchmark dataset for protein-ligand co-folding prediction
  ☆40Updated 3 months ago
• tiwarylab / GrASP
  Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
  ☆54Updated 5 months ago