Alternatives and similar repositories for DeepSurf

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

• iamysk / AFsample2
  Modelling protein conformational landscape with Alphafold
  ☆51Updated last month
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated 3 months ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• haddocking / arctic3d
  Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
  ☆30Updated 3 weeks ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆34Updated last month
• biomed-AI / DiffDec
  ☆37Updated last year
• nekitmm / DLPacker
  DLPacker
  ☆31Updated last year
• feiglab / idpgan
  ☆48Updated 7 months ago
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆34Updated last year
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆57Updated 2 weeks ago
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆41Updated last year
• Nucleus2014 / protease-gcnn-pytorch
  ☆20Updated last year
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆31Updated 6 months ago
• jaaamessszzz / BindingSitesFromFragments
  De novo design of small molecule binding sites into proteins
  ☆12Updated 4 years ago
• jivankandel / PUResNet
  Predicting protein-ligand binding sites using deep convolutional neural network
  ☆50Updated 11 months ago
• tommyhuangthu / EvoEF2
  Physical energy function for protein sequence design
  ☆33Updated 2 years ago
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆36Updated 2 months ago
• ElwynWang / DeepFragLib
  ☆29Updated 5 years ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆69Updated 5 months ago
• aivant / ShapeLinker
  ☆23Updated last year
• zhenglz / onionnet
  A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
  ☆81Updated 4 years ago
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• samgoldman97 / enzyme-datasets
  Enzyme datasets used to benchmark enzyme-substrate promiscuity models
  ☆38Updated 4 years ago
• ohuelab / ColabDesign-cyclic-binder
  ☆33Updated 2 years ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆30Updated 2 years ago
• ChatterjeeAyan / AI-Bind
  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
  ☆30Updated last year
• GMdSilva / gms_natcomms_1705932980_data
  Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2
  ☆39Updated last year
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆34Updated 5 months ago
• iambic-therapeutics / np-bench
  A benchmark for 3D biomolecular structure prediction models
  ☆64Updated 3 months ago
• patrickbryant1 / RareFold
  Structure prediction and design of proteins with noncanonical amino acids
  ☆86Updated 3 weeks ago