Alternatives and similar repositories for papers

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

• 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
  ☆30Updated last month
• pstansfeld / MemProtMD
  ☆47Updated last month
• KULL-Centre / CALVADOS
  ☆80Updated 2 months ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆77Updated 8 months ago
• tiwarylab / alphafold2rave
  ☆69Updated last year
• Mickdub / gvp
  ☆89Updated last year
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆115Updated last year
• guyuehuo / opendock
  ☆52Updated 2 weeks ago
• patrickbryant1 / AFProfile
  Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile
  ☆70Updated last year
• patrickbryant1 / MoLPC
  Modelling of Large Protein Complexes
  ☆39Updated 4 months ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆36Updated last month
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆91Updated 5 years ago
• bjornwallner / alphafoldv2.2.0
  Open source code for AlphaFold.
  ☆38Updated 3 years ago
• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆83Updated 3 years ago
• ShintaroMinami / PyDSSP
  A simplified implementation of DSSP algorithm for PyTorch and NumPy
  ☆97Updated 6 months ago
• delalamo / af2_conformations
  A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2
  ☆98Updated 2 years ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆56Updated last week
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆65Updated last year
• srnas / barnaba
  Analyse Nucleic Acids Structure and Simulations with baRNAba
  ☆47Updated last year
• rcsb / py-rcsbsearchapi
  Python interface for the RCSB PDB search API.
  ☆65Updated 9 months ago
• getcontacts / getcontacts
  Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
  ☆134Updated 2 years ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆68Updated 2 months ago
• wells-wood-research / drMD
  Molecular Dynamics for Experimentalists
  ☆65Updated last month
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆44Updated last month
• tiwarylab / GrASP
  Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
  ☆54Updated 6 months ago
• ccsb-scripps / ADCP
  AutoDock CrankPep for peptide and disordered protein docking
  ☆55Updated 2 months ago
• jproney / AF2Rank
  ☆114Updated 3 years ago
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆86Updated this week
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆72Updated 9 months ago