Alternatives and similar repositories for AGBTcode:

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

• DirectMolecularConfGen / DMCG
  ☆48Updated 2 years ago
• anny0316 / Drug3D-Net
  A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry
  ☆31Updated 3 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆62Updated 10 months ago
• dbkgroup / prop_gen
  A novel hybrid method for generating molecules with desired property scores.
  ☆42Updated 3 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆46Updated 2 years ago
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆45Updated 3 years ago
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆40Updated 7 months ago
• smiles724 / Molformer
  ☆90Updated 2 years ago
• DeepGraphLearning / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆22Updated 3 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆41Updated last year
• bytedance / markov-molecular-sampling
  ☆52Updated 3 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆60Updated last month
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆56Updated last year
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆59Updated last year
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆106Updated last year
• drorlab / combind
  Integrated physics-based and ligand-based modeling.
  ☆61Updated 2 years ago
• jaechanglim / DTI_PDBbind
  ☆32Updated 2 years ago
• keiserlab / autofragdiff
  ☆25Updated 8 months ago
• HHW-zhou / LLM4Mol
  A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…
  ☆39Updated last year
• Hyunseung-Kim / molGCT
  ☆25Updated last year
• jaechanglim / GNN_DTI
  ☆66Updated 4 years ago
• PointSite / PointSite
  PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms
  ☆54Updated last year
• HongxinXiang / ImageMol
  ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
  ☆48Updated 5 months ago
• futianfan / DST
  (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)
  ☆27Updated last year
• cieplinski-tobiasz / smina-docking-benchmark
  ☆69Updated 2 years ago
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆52Updated 2 years ago
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆45Updated last year
• smiles724 / ProtMD
  ☆62Updated 2 years ago