Alternatives and similar repositories for pdb_eda

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

• cieplinski-tobiasz / smina-docking-benchmark
  ☆76Updated 3 years ago
• wenhao-gao / askcos_synthesizability
  ☆28Updated 3 years ago
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆48Updated 2 years ago
• aretasg / dockit
  High-throughput molecular docking with multiple targets and ligands using Vina series engines
  ☆33Updated 5 years ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆71Updated 9 months ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆36Updated last week
• pstansfeld / MemProtMD
  ☆45Updated 3 weeks ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆55Updated last month
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆89Updated 5 years ago
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆43Updated 2 years ago
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆42Updated last year
• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆67Updated 7 months ago
• MolecularAI / Icolos
  Icolos: A workflow manager for structure based post-processing of de novo generated small molecules
  ☆55Updated 2 years ago
• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆45Updated 2 years ago
• zhenglz / dockingML
  A package for MD, Docking and Machine learning drug discovery pipeline
  ☆44Updated 5 years ago
• tekpinar / correlationplus
  A Python package to calculate, visualize and analyze correlation maps of proteins.
  ☆41Updated 3 months ago
• rdk / p2rank-datasets
  Datasets for P2Rank project. https://github.com/rdk/p2rank
  ☆25Updated last year
• maccallumlab / meld
  Modeling with limited data
  ☆59Updated 5 months ago
• Graylab / deepH3-distances-orientations
  ☆35Updated 4 years ago
• swansonk14 / chemfunc
  Useful functions for working with small molecules
  ☆55Updated 2 months ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆41Updated 8 years ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆112Updated last year
• oddt / rfscorevs_binary
  RF-Score-VS binary
  ☆31Updated 7 years ago
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆33Updated 2 years ago
• ElwynWang / DeepFragLib
  ☆29Updated 5 years ago
• dabrze / CheckMyBlob
  Machine learning experiments for CheckMyBlob
  ☆14Updated 7 years ago
• DrugBud-Suite / DockM8
  All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
  ☆50Updated last month
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆52Updated 6 years ago
• svats73 / mdml
  mdml: Deep Learning for Molecular Simulations
  ☆48Updated 6 months ago
• rxn4chemistry / rxnaamapper
  Reaction SMILES-AA mapping via language modelling
  ☆29Updated last year