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
• julie-forman-kay-lab / IDPConformerGenerator
  Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space
  ☆26Updated 3 weeks ago
• greener-group / GB99dms
  The GB99dms implicit solvent force field for proteins, plus scripts and data
  ☆23Updated 2 months ago
• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆44Updated 2 years ago
• shirtsgroup / cg_openmm
  Tools to build coarse grained models and perform simulations with OpenMM
  ☆24Updated 2 years ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆41Updated last year
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆104Updated 11 months ago
• CSB-KaracaLab / prot-on
  This repo contains the collection of codes to find designer interfacial mutations
  ☆17Updated last year
• npschafer / openawsem
  An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM
  ☆36Updated 2 months ago
• tiwarylab / State-Predictive-Information-Bottleneck
  ☆26Updated 2 years ago
• choderalab / espaloma-charge
  Standalone charge assignment from Espaloma framework.
  ☆40Updated last year
• bussilab / MDRefine
  ☆16Updated last week
• pstansfeld / MemProtMD
  ☆45Updated 3 months ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆40Updated last month
• biotite-dev / hydride
  Adding hydrogens to molecular models
  ☆47Updated 9 months ago
• samplchallenges / SAMPL9
  ☆29Updated last year
• insilichem / gaudi
  GaudiMM: A modular optimization platform for molecular design
  ☆32Updated last year
• Degiacomi-Lab / molearn
  protein conformational spaces meet machine learning
  ☆46Updated last month
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆44Updated 2 years ago
• tekpinar / correlationplus
  A Python package to calculate, visualize and analyze correlation maps of proteins.
  ☆41Updated 2 months ago
• ur-whitelab / wazy
  Bayesian Optimization with Pretrained Protein Sequence Models
  ☆56Updated last year
• vuqv / cosmo
  COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM
  ☆12Updated last year
• PDBeurope / ccdutils
  A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…
  ☆61Updated 5 months ago
• openmm / openmm_workshops
  ☆37Updated 11 months ago
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆30Updated 2 months ago
• svats73 / mdml
  mdml: Deep Learning for Molecular Simulations
  ☆43Updated 2 months ago
• RedesignScience / cvpack
  Useful Collective Variables for OpenMM
  ☆14Updated last year
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆75Updated this week
• bytedance / OpenMM-Python-Force
  Run OpenMM with forces provided by any Python program
  ☆36Updated 7 months ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆44Updated 3 years ago