Alternatives and similar repositories for CSpred

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

• KULL-Centre / DEERpredict
  Software for the prediction of DEER and PRE data from conformational ensembles.
  ☆12Updated 3 months ago
• pstansfeld / MemProtMD
  ☆45Updated 3 months ago
• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆44Updated 2 years ago
• biotite-dev / hydride
  Adding hydrogens to molecular models
  ☆48Updated 10 months ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆105Updated last year
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆41Updated last year
• OpenFreeEnergy / cinnabar
  Package for consistent reporting of relative free energy results
  ☆39Updated this week
• julie-forman-kay-lab / IDPConformerGenerator
  Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space
  ☆26Updated last month
• choderalab / espaloma-charge
  Standalone charge assignment from Espaloma framework.
  ☆40Updated last year
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆75Updated this week
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆42Updated last month
• ur-whitelab / wazy
  Bayesian Optimization with Pretrained Protein Sequence Models
  ☆56Updated last year
• greener-group / GB99dms
  The GB99dms implicit solvent force field for proteins, plus scripts and data
  ☆23Updated 3 months ago
• KULL-Centre / CALVADOS
  ☆69Updated 2 months ago
• tiwarylab / alphafold2rave
  ☆68Updated last year
• oxpig / CoPriNet
  Deep learning for compound price prediction
  ☆19Updated last year
• openmm / openmm_workshops
  ☆38Updated 11 months ago
• shirtsgroup / cg_openmm
  Tools to build coarse grained models and perform simulations with OpenMM
  ☆24Updated 2 years ago
• vuqv / cosmo
  COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM
  ☆12Updated 2 weeks ago
• mahendra-awale / medchem_moves
  ☆46Updated 4 years ago
• volkamerlab / plipify
  ☆18Updated 2 years ago
• rinikerlab / Ensembler
  Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…
  ☆53Updated last year
• czodrowskilab / 5minfame
  ☆37Updated 2 years ago
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆57Updated 3 weeks ago
• bytedance / OpenMM-Python-Force
  Run OpenMM with forces provided by any Python program
  ☆36Updated 8 months ago
• choderalab / qmlify
  ☆44Updated 3 years ago
• Degiacomi-Lab / molearn
  protein conformational spaces meet machine learning
  ☆46Updated 2 months ago
• openmm / openmm-cookbook
  The OpenMM Cookbook and Tutorials
  ☆47Updated last week
• CSB-KaracaLab / prot-on
  This repo contains the collection of codes to find designer interfacial mutations
  ☆17Updated 2 years ago
• DrugBud-Suite / DockM8
  All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
  ☆47Updated 7 months ago