Alternatives and similar repositories for RLDatabase

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

• itWangCode / AIGC-in-drug-design
  Application of AIGC in drug design
  ☆46Updated last year
• KSUN63 / DeepDTA-Pytorch
  Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)
  ☆13Updated last year
• OdinZhang / Delete
  A universal structure-directed lead optimization
  ☆70Updated last week
• Sept-naf / gromacs-tutorials
  Gromacs tutorial PPTs and mdp files, also some plotting scripts
  ☆49Updated 2 months ago
• schrojunzhang / KarmaDock
  ☆132Updated last year
• sc8668 / GenScore
  ☆40Updated last year
• fhh2626 / BFEE2
  binding free energy estimator 2
  ☆137Updated 2 weeks ago
• Wang-Lin-boop / AutoMD
  Easy to get started with molecular dynamics simulation.
  ☆62Updated 7 months ago
• legendzzy / ProAffinity-GNN
  ☆20Updated 6 months ago
• guaguabujianle / GIGN
  ☆48Updated 2 years ago
• YZY010418 / CPSea
  A cyclic peptide-protein complex dataset derived from AFDB.
  ☆34Updated last week
• pengxingang / PocketXMol
  Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.
  ☆107Updated last week
• sc8668 / RTMScore
  ☆112Updated 2 years ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆117Updated last year
• QiaoyuHu89 / DiffGui
  ☆63Updated 2 months ago
• PKUGaoGroup / DSDP
  Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …
  ☆63Updated 7 months ago
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆59Updated 2 weeks ago
• recursionpharma / synflownet-boltz
  ☆64Updated 7 months ago
• AndMastro / protein-ligand-GNN
  This repository contains the code for the work on protein-ligand interaction with GNNs and XAI
  ☆36Updated 2 years ago
• JU-HuaY / MMDG-DTI
  ☆12Updated 8 months ago
• idrugLab / FP-GNN
  ☆70Updated 2 years ago
• CharlesHahn / DuIvyTools
  A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).
  ☆92Updated 3 months ago
• jule-c / ET-Tox
  ET-Tox
  ☆12Updated last year
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆105Updated last year
• CharlesHahn / DuIvy
  some scripts for analysis of MD and CADD. And some tutorials.
  ☆61Updated last year
• carbonsilicon-ai / CarsiDock
  Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…
  ☆109Updated 5 months ago
• guaguabujianle / EHIGN_PLA
  ☆21Updated last year
• cch1999 / awesome-sbdd
  A curated list of papers and resources on Structure-Based Drug Design (SBDD)
  ☆12Updated last year
• ai4protein / Pro-Prime
  ☆76Updated 5 months ago
• tiantz17 / PocketAnchor
  Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction
  ☆35Updated 2 years ago