learningmatter-mit / PatentChemLinks
Downloads USPTO patents and finds molecules related to keyword queries
☆66Updated last year
Alternatives and similar repositories for PatentChem
Users that are interested in PatentChem are comparing it to the libraries listed below
Sorting:
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Updated 4 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆72Updated 4 months ago
- Chemistry-related Python utilities used in the RXN universe☆25Updated last year
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆37Updated last year
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆28Updated last year
- Chemical reaction data cleaning☆30Updated 3 years ago
- Synthetic Bayesian Classification☆47Updated 4 years ago
- Machine learning accelerated docking screens☆63Updated 9 months ago
- Useful functions for working with small molecules☆54Updated last month
- Chemical representation learning paper in Digital Discovery☆62Updated last year
- Molecular filtering for drug discovery.☆65Updated 5 months ago
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆25Updated last year
- ☆30Updated 2 years ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆34Updated last year
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆63Updated last year
- A graph-based workflow manager for computational chemistry pipelines☆67Updated 7 months ago
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆26Updated last year
- The source code for ADME@NCATS application that hosts prediction models for ADME properties. Link to application: https://opendata.ncats.…☆39Updated last month
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆68Updated 4 months ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆55Updated 2 years ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆43Updated 3 weeks ago
- Action sequence prediction for arbitrary chemical equations☆26Updated 4 years ago
- Library for processing molecules and reactions in python way☆45Updated last week
- Converts clipboard content to smiles and much more☆62Updated last year
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 7 months ago
- PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…☆25Updated 3 years ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated 2 years ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆63Updated 4 months ago
- Hierarchical template correction for chemical reactions☆17Updated last year
- ☆29Updated 2 years ago