Alternatives and similar repositories for DeepSurf

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

• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆70Updated 8 months ago
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated 5 months ago
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆33Updated 2 years ago
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆42Updated last year
• jivankandel / PUResNet
  Predicting protein-ligand binding sites using deep convolutional neural network
  ☆50Updated last year
• haddocking / arctic3d
  Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
  ☆32Updated 2 weeks ago
• aivant / ShapeLinker
  ☆24Updated last year
• zhenglz / OnionNet-SFCT
  Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term
  ☆29Updated 11 months ago
• drorlab / FRAME
  Fragment-based Molecular Expansion
  ☆24Updated last year
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆35Updated 4 months ago
• wallnerlab / AFsample2
  Modelling protein conformational landscape with Alphafold
  ☆54Updated 2 months ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆29Updated last year
• PeptoneLtd / proteinmpnn_ddg
  Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.
  ☆57Updated 5 months ago
• ohuelab / QEPPI
  Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions
  ☆18Updated last year
• tommyhuangthu / EvoEF2
  Physical energy function for protein sequence design
  ☆33Updated 2 years ago
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆39Updated 5 months ago
• patrickbryant1 / RareFold
  Structure prediction and design of proteins with noncanonical amino acids
  ☆110Updated 2 weeks ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆36Updated 7 months ago
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆59Updated last month
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆30Updated 2 years ago
• zhenglz / onionnet
  A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
  ☆81Updated 5 years ago
• feiglab / idpgan
  ☆50Updated 10 months ago
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆40Updated last week
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆31Updated last month
• hesther / enzymemap
  Python package to atom map, correct and suggest enzymatic reactions
  ☆39Updated last year
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆14Updated last year
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆31Updated 2 weeks ago
• fimrie / DeLinker
  ☆38Updated 4 years ago