Alternatives and similar repositories for LocalTransform:

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

• coleygroup / Graph2SMILES
  ☆53Updated last year
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆46Updated 2 years ago
• uta-smile / RetroXpert
  ☆63Updated 3 years ago
• yuewan2 / Retroformer
  ☆46Updated 2 years ago
• DirectMolecularConfGen / DMCG
  ☆48Updated 2 years ago
• snu-micc / LocalMapper
  Precise reaction atom-to-atom mapping with LocalMapper
  ☆30Updated 7 months ago
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆70Updated last year
• wenhao-gao / SynNet
  ☆87Updated 2 years ago
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆34Updated 4 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• otori-bird / retrosynthesis
  ☆65Updated 7 months ago
• chython / chytorch
  Library for modeling molecules and reactions in pytorch
  ☆17Updated last month
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆45Updated 3 years ago
• HelloJocelynLu / t5chem
  Transformer-based model for chemical reactions
  ☆67Updated last month
• vsomnath / graphretro
  Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
  ☆46Updated last year
• Lung-Yi / AutoTemplate
  ☆16Updated last month
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆73Updated 5 months ago
• atomistic-machine-learning / cG-SchNet
  cG-SchNet - a conditional generative neural network for 3d molecular structures
  ☆54Updated last year
• rxn4chemistry / smiles2actions
  Action sequence prediction for arbitrary chemical equations
  ☆26Updated 3 years ago
• aspuru-guzik-group / group-selfies
  ☆56Updated last year
• jaechanglim / GGM
  graph generative model for molecule
  ☆37Updated 5 years ago
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆29Updated last year
• undeadpixel / reinvent-scaffold-decorator
  A SMILES-based encoder-decoder architecture for molecular scaffold decoration
  ☆78Updated 4 years ago
• Hyunseung-Kim / molGCT
  ☆25Updated last year
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆27Updated last year
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆31Updated 2 years ago
• daenuprobst / molsetrep
  Molecular Set Representation Learning
  ☆45Updated 2 months ago
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆51Updated 2 years ago
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆65Updated 3 years ago