Alternatives and similar repositories for GEFA

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

• futianfan / DST
  (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)
  ☆29Updated 2 years ago
• ml-jku / MHNfs
  ☆21Updated last year
• jaechanglim / DTI_PDBbind
  ☆33Updated 3 years ago
• phermosilla / IEConv_proteins
  Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
  ☆48Updated 3 years ago
• DeepGraphLearning / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆22Updated 3 years ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆64Updated last month
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆69Updated last year
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆46Updated 4 years ago
• AITRICS / mol_reliable_gnn
  Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'
  ☆29Updated 4 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 4 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆53Updated 2 years ago
• yuanweining / FusionDTA
  ☆20Updated last year
• dbkgroup / prop_gen
  A novel hybrid method for generating molecules with desired property scores.
  ☆42Updated 3 years ago
• jiachengxiong / Literature
  Recent application of graph neural network in drug discovery
  ☆10Updated 5 years ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆55Updated 3 years ago
• Shen-Lab / CPAC
  [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction
  ☆16Updated last year
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated 2 years ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years ago
• DirectMolecularConfGen / DMCG
  ☆58Updated 2 years ago
• junsu-kim97 / self_improved_retro
  PyTorch code accompanying the paper "Self-Improved Retrosynthetic Planning" (ICML 2021).
  ☆21Updated 4 years ago
• GT4SD / multitask_text_and_chemistry_t5
  Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023
  ☆41Updated 11 months ago
• smiles724 / Molformer
  ☆96Updated 2 months ago
• 595693085 / WGNN-DTA
  a method for CPI and DTA prediction
  ☆11Updated 3 years ago
• QizhiPei / SSM-DTA
  SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)
  ☆53Updated last year
• RL4M / KeAP
  An official implementation of Protein Representation Learning via Knowledge Enhanced Primary Structure Reasoning
  ☆29Updated 2 years ago
• yuanqm55 / GraphPPIS
  Protein-protein interacting site predictor using deep graph convolutional network
  ☆11Updated 2 years ago
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆47Updated 2 years ago
• Sundw-818 / DSR
  The code for NeurIPS 2023 paper DSR
  ☆13Updated last year
• jaechanglim / GNN_DTI
  ☆67Updated 5 years ago