Alternatives and similar repositories for Respite_MPP:

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

• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆38Updated this week
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆85Updated 4 months ago
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆31Updated last year
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆66Updated 11 months ago
• coleygroup / Graph2SMILES
  ☆55Updated last year
• HyunSeobKim / CHEM-BERT
  pre-training BERT with molecular data
  ☆42Updated 3 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆63Updated 11 months ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆48Updated this week
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆76Updated last year
• guaguabujianle / GIGN
  ☆38Updated last year
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025]
  ☆57Updated 2 months ago
• THGLab / LP-PDBBind
  ☆38Updated last year
• junxia97 / IFM
  [NeurIPS 2023] "Understanding the Limitations of Deep Models for Molecular Property Prediction: Insights and Solutions"
  ☆11Updated last year
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆47Updated 2 weeks ago
• ZangXuan / HiMol
  ☆23Updated 2 years ago
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆46Updated last year
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆29Updated last year
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆48Updated 8 months ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆61Updated last month
• oxpig / DEVELOP
  ☆56Updated last year
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆35Updated 6 months ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆62Updated 4 months ago
• wzxxxx / Substructure-Mask-Explanation
  structure-based explanation methods
  ☆25Updated 11 months ago
• DirectMolecularConfGen / DMCG
  ☆52Updated 2 years ago
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆27Updated 3 months ago
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆34Updated last year
• XieResearchGroup / Physics-aware-Multiplex-GNN
  Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular syste…
  ☆67Updated 5 months ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆52Updated last year
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆179Updated last month