mik-laj / streamlit-ketcherLinks
☆56Updated last year
Alternatives and similar repositories for streamlit-ketcher
Users that are interested in streamlit-ketcher are comparing it to the libraries listed below
Sorting:
- ☆25Updated 3 years ago
- Enable cheminformatics and quantum chemistry☆76Updated last year
- Extracting medicinal chemistry intuition via preference machine learning☆112Updated last year
- ☆73Updated last year
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆84Updated last week
- Molecular bloom filter tool☆123Updated last month
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆78Updated 2 months ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆62Updated last year
- RDKit Tools for the IPython Notebook☆46Updated 6 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆71Updated 3 months ago
- Molecular filtering for drug discovery.☆64Updated 4 months ago
- Sire Molecular Simulations Framework☆59Updated last week
- Simple package for fast molecular similarity searches☆151Updated 2 weeks ago
- Library for processing molecules and reactions in python way☆45Updated 3 weeks ago
- QSARtuna: QSAR model building with the optuna framework☆136Updated 11 months ago
- A graph-based workflow manager for computational chemistry pipelines☆66Updated 5 months ago
- Materials from the 2023 RDKit UGM☆34Updated last year
- Synthetic Bayesian Classification☆47Updated 4 years ago
- ☆55Updated 4 months ago
- A python package for chemical space visualization.☆148Updated 9 months ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆39Updated 4 years ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆129Updated 3 weeks ago
- ☆85Updated last year
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆49Updated 4 years ago
- rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)☆33Updated 2 years ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆45Updated 3 months ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆62Updated 8 months ago
- Fast Molecular Property Prediction with mordredcommunity☆51Updated 2 weeks ago
- Draw molecules with plotly!☆50Updated 5 months ago
- The Chemical Data Processing Toolkit☆98Updated last week