Alternatives and similar repositories for p2rank-datasets

Users that are interested in p2rank-datasets are comparing it to the libraries listed below

• fimrie / DeLinker
  ☆38Updated 4 years ago
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆42Updated last year
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆43Updated 2 years ago
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated 7 months ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆30Updated 3 years ago
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆44Updated last month
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆29Updated last year
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• ohuelab / QEPPI
  Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions
  ☆18Updated 2 years ago
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆30Updated last week
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆40Updated 6 months ago
• drorlab / FRAME
  Fragment-based Molecular Expansion
  ☆27Updated last year
• bartongroup / LBS-comparison
  This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools
  ☆17Updated last year
• CDDLeiden / PCMol
  Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
  ☆72Updated 9 months ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆72Updated 9 months ago
• czodrowskilab / VSFlow
  ☆100Updated 10 months ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆36Updated this week
• jaaamessszzz / BindingSitesFromFragments
  De novo design of small molecule binding sites into proteins
  ☆12Updated 4 years ago
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆45Updated last month
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆50Updated 5 years ago
• haddocking / arctic3d
  Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
  ☆32Updated 3 weeks ago
• charlesxu90 / helm-gpt
  HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer
  ☆30Updated last year
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆33Updated 2 years ago
• feiglab / idpgan
  ☆50Updated 11 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• oxpig / MolSnapper
  ☆53Updated 7 months ago
• GMdSilva / gms_natcomms_1705932980_data
  Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2
  ☆42Updated last year
• xuhuihuang / featuredock
  FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer
  ☆38Updated last year
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆14Updated 2 years ago