Lucandia / molecule-icon-generatorLinks
Generate nice icons of molecules with a python script
☆79Updated last year
Alternatives and similar repositories for molecule-icon-generator
Users that are interested in molecule-icon-generator are comparing it to the libraries listed below
Sorting:
- Draw molecules with plotly!☆47Updated 3 months ago
- DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …☆55Updated 8 months ago
- Enable cheminformatics and quantum chemistry☆75Updated last year
- Repository for the SCS Spring School on Digital Chemistry☆20Updated 2 years ago
- Synthesis generative model☆46Updated 2 months ago
- Hands-on workshop showing good software development practices to create a Python package.☆41Updated last year
- Schema for the Open Reaction Database☆103Updated 2 weeks ago
- Automated machine learning protocols that start from CSV databases of descriptors or SMILES and produce publication-quality results in Ch…☆50Updated 2 weeks ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆60Updated 6 months ago
- Chemical Structure Handling for Pandas DataFrames☆33Updated 2 years ago
- Molecular bloom filter tool☆120Updated 2 months ago
- ☆55Updated 11 months ago
- ☆25Updated 3 years ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆40Updated last week
- ☆24Updated 2 weeks ago
- QM-based enzyme model generation and validation.☆13Updated 10 months ago
- CAlculation of NMR Chemical Shifts using Deep LEarning☆58Updated 2 years ago
- This repository includes pKa data digitized and curated from reference books published by IUPAC.☆63Updated 2 months ago
- RDKit Tools for the IPython Notebook☆46Updated 6 years ago
- Materials from the 2023 RDKit UGM☆34Updated last year
- Store your chemical data in a single file!☆12Updated 2 months ago
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆45Updated 11 months ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆69Updated last month
- A molecular identifier and descriptor for all domains of chemistry.☆24Updated 6 months ago
- Package for consistent reporting of relative free energy results☆39Updated last month
- Experimental small molecule hydration free energy dataset☆30Updated 3 years ago
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆70Updated this week
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆84Updated 2 weeks ago
- Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents☆29Updated 3 years ago
- A Fast Chemical Graph Generator☆82Updated 2 years ago