Alternatives and similar repositories for t5chem:

Users that are interested in t5chem are comparing it to the libraries listed below

• uta-smile / RetroXpert
  ☆63Updated 3 years ago
• yuewan2 / Retroformer
  ☆46Updated 2 years ago
• coleygroup / Graph2SMILES
  ☆53Updated last year
• otori-bird / retrosynthesis
  ☆65Updated 7 months ago
• snu-micc / LocalMapper
  Precise reaction atom-to-atom mapping with LocalMapper
  ☆30Updated 7 months ago
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆34Updated 4 years ago
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆40Updated 6 months ago
• jfjoung / mechanism_prediction
  ☆18Updated 5 months ago
• connorcoley / scscore
  ☆95Updated 3 years ago
• Jamson-Zhong / Graph2Edits
  ☆29Updated last year
• rxn4chemistry / paragraph2actions
  Extraction of action sequences from experimental procedures
  ☆40Updated last year
• CrystalEye42 / OpenChemIE
  ☆57Updated 6 months ago
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆73Updated 5 months ago
• MorganCThomas / MolScore
  An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…
  ☆161Updated last month
• jiangfeng1124 / ChemRxnExtractor
  Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)
  ☆74Updated 2 years ago
• connorcoley / rdchiral
  Wrapper for RDKit's RunReactants to improve stereochemistry handling
  ☆155Updated last year
• isayevlab / Auto3D_pkg
  Auto3D generates low-energy conformers from SMILES/SDF
  ☆152Updated 5 months ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆70Updated last year
• Lung-Yi / AutoTemplate
  ☆16Updated last month
• aspuru-guzik-group / group-selfies
  ☆56Updated last year
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆171Updated 9 months ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆63Updated last year
• DirectMolecularConfGen / DMCG
  ☆48Updated 2 years ago
• GT4SD / multitask_text_and_chemistry_t5
  Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023
  ☆36Updated 4 months ago
• hwwang55 / MolR
  Chemical-Reaction-Aware Molecule Representation Learning
  ☆76Updated 2 years ago
• MolecularAI / MolBART
  Pretrained SMILES transformation model for finetuning for diverse molecular tasks.
  ☆43Updated 2 years ago
• uta-smile / SMILES-BERT
  ☆43Updated 4 years ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆89Updated last year
• Hanjun-Dai / GLN
  Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network
  ☆119Updated 2 years ago
• aspuru-guzik-group / stoned-selfies
  This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discov…
  ☆122Updated 5 months ago