Steinbeck-Lab / cheminformatics-microservice
This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.
☆39Updated 2 weeks ago
Alternatives and similar repositories for cheminformatics-microservice
Users that are interested in cheminformatics-microservice are comparing it to the libraries listed below
Sorting:
- Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…☆42Updated last month
- ☆34Updated last year
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆60Updated last year
- ☆16Updated last year
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆71Updated 4 months ago
- Fast Molecular Property Prediction with mordredcommunity☆33Updated last month
- rdkit scripts making life easier☆69Updated last month
- Mordred port in cpp☆49Updated 2 months ago
- Open-source tool for synthons-based library design.☆79Updated 4 months ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆72Updated 2 weeks ago
- Computational Chemistry Workflows☆53Updated 2 years ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆51Updated 7 months ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 2 months ago
- Dimorphite-DL adds hydrogen atoms to molecular representations, as appropriate for a user-specified pH range. It is a fast, accurate, acc…☆29Updated last year
- Materials from the 2023 RDKit UGM☆34Updated last year
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆34Updated last year
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆68Updated last month
- ☆73Updated last year
- Converts clipboard content to smiles and much more☆61Updated 11 months ago
- Dynamic pharmacophore modeling of molecular interactions☆35Updated last year
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆66Updated last month
- Enable cheminformatics and quantum chemistry☆74Updated last year
- Write reproducible code for getting and processing ChEMBL☆75Updated 2 months ago
- ☆79Updated 8 months ago
- Thompson Sampling☆66Updated last week
- Chemical reaction data cleaning☆30Updated 3 years ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆54Updated 4 months ago
- ☆27Updated 11 months ago
- ☆23Updated last year
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆42Updated last year