Alternatives and similar repositories for Reaction_condition_recommendation:

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

• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆23Updated last year
• yanfeiguan / reactivity_predictions_substitution
  Platforms to predict reactivity for substitution reactions.
  ☆17Updated 3 years ago
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 2 years ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆73Updated last year
• czodrowskilab / Machine-learning-meets-pKa
  ☆73Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated last year
• moyiming1 / Retrosynthesis-pathway-ranking
  ☆21Updated 4 years ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆73Updated last month
• mahendra-awale / medchem_moves
  ☆44Updated 4 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆36Updated last year
• cimm-kzn / 3D-MIL-QSAR
  MIL for ligand bioactivity prediction
  ☆55Updated 6 months ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆40Updated 4 years ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆64Updated last year
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 4 months ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆46Updated 3 months ago
• MolecularAI / aizynthtrain
  Tools to train synthesis prediction models
  ☆22Updated 8 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆19Updated last year
• jaechanglim / molecule-generator
  Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks
  ☆27Updated 6 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 3 years ago
• coleygroup / openretro
  ☆24Updated last year
• PatWalters / TS
  Thompson Sampling
  ☆60Updated last month
• coleygroup / del_qsar
  ☆30Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated last year
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year
• greglandrum / RSC_OpenScience_Standardization_202104
  Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
  ☆46Updated 3 years ago
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆48Updated last year
• yydiao1025 / MacFrag
  ☆19Updated last year
• knu-lcbc / MolForge
  ☆21Updated last year