learningmatter-mit / PatentChem

Related projects ⓘ

Alternatives and complementary repositories for PatentChem

• rxn4chemistry / rxn-chemutils
  Chemistry-related Python utilities used in the RXN universe
  ☆21Updated 4 months ago
• reymond-group / CASP-and-dataset-performance
  Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
  ☆45Updated 3 years ago
• rxn4chemistry / OpenNMT-py
  RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
  ☆25Updated 9 months ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆26Updated last month
• ZimmermanGroup / ActiveTransfer
  ☆13Updated 2 years ago
• iipharma / pharmamind-molminer
  PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…
  ☆20Updated 2 years ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆21Updated 5 months ago
• rinikerlab / molecular_time_series
  Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9
  ☆19Updated 7 months ago
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆19Updated 3 months ago
• whitead / synspace
  Synthesis generative model
  ☆36Updated last year
• JacksonBurns / py2opsin
  Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
  ☆43Updated last week
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆32Updated 10 months ago
• alexarnimueller / surf
  Simple User-Friendly Reaction Format
  ☆14Updated last month
• RPirie96 / RGMolSA
  ☆33Updated 8 months ago
• seokhokang / reaction_yield_nn
  Uncertainty-aware prediction of chemical reaction yields with graph neural networks
  ☆19Updated 3 weeks ago
• aivant / ShapeLinker
  ☆22Updated 5 months ago
• rdkit / PREFER
  ☆28Updated last year
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 2 years ago
• croningp / JTNN-VAE
  Junction-tree variational auto-encoder for Python 3 (https://arxiv.org/abs/1802.04364)
  ☆9Updated 3 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆40Updated 3 years ago
• CrystalEye42 / OpenChemIE
  ☆47Updated 4 months ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆61Updated last year
• ghiander / novana
  Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆35Updated last week
• grzsko / ASAP
  ☆13Updated last year
• dmw51 / reactiondataextractor2
  This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes
  ☆19Updated last year
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆28Updated 2 years ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆25Updated last month
• iribirii / icons-for-chemists
  ☆12Updated last year
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆21Updated last year
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆20Updated last year