Alternatives and similar repositories for CGCF-ConfGen:

Users that are interested in CGCF-ConfGen are comparing it to the libraries listed below

• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆45Updated 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
• guanjq / confopt_official
  The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)
  ☆36Updated 2 years ago
• gncs / graphdg
  Generative model for molecular distance geometry
  ☆38Updated last year
• cieplinski-tobiasz / smina-docking-benchmark
  ☆69Updated 2 years ago
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated last year
• wwang2 / CoarseGrainingVAE
  Geometric super-resolution for molecular geometries
  ☆39Updated 2 years ago
• DirectMolecularConfGen / DMCG
  ☆48Updated 2 years ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆59Updated last year
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆60Updated last month
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• phermosilla / IEConv_proteins
  Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
  ☆49Updated 3 years ago
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆106Updated last year
• valence-labs / mood-experiments
  Molecular Out-Of-Distribution
  ☆36Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆62Updated 10 months ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• wsjeon92 / morld
  ☆26Updated last year
• jaechanglim / DTI_PDBbind
  ☆32Updated 2 years ago
• IBM / QMO
  Code and data for QMO https://arxiv.org/abs/2011.01921
  ☆35Updated 3 years ago
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆46Updated 3 weeks ago
• atomistic-machine-learning / cG-SchNet
  cG-SchNet - a conditional generative neural network for 3d molecular structures
  ☆57Updated last year
• shuyana / DiffusionProteinLigand
  ☆78Updated 11 months ago
• keiserlab / autofragdiff
  ☆25Updated 8 months ago
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆40Updated 7 months ago
• dbkgroup / prop_gen
  A novel hybrid method for generating molecules with desired property scores.
  ☆42Updated 3 years ago
• compsciencelab / mdCATH
  This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…
  ☆35Updated 3 months ago
• qiangbo1222 / HierDiff
  Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
  ☆42Updated last year
• drorlab / combind
  Integrated physics-based and ligand-based modeling.
  ☆61Updated 2 years ago
• nyu-dl / dl4chem-mgm
  ☆68Updated 2 years ago