Lucandia / molecule-icon-generator
Generate nice icons of molecules with a python script
☆69Updated 9 months ago
Alternatives and similar repositories for molecule-icon-generator:
Users that are interested in molecule-icon-generator are comparing it to the libraries listed below
- Automated machine learning protocols that start from CSV databases of descriptors or SMILES and produce publication-quality results in Ch…☆44Updated this week
- ☆50Updated 6 months ago
- Draw molecules with plotly!☆43Updated 5 months ago
- ☆60Updated 7 months ago
- DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …☆50Updated 3 months ago
- ☆25Updated 3 years ago
- ai_in_chemistry_workshop☆74Updated 5 months ago
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆80Updated 3 weeks ago
- ☆18Updated 5 months ago
- A molecular identifier and descriptor for all domains of chemistry.☆24Updated last month
- Enable cheminformatics and quantum chemistry☆72Updated last year
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆44Updated 6 months ago
- rule-based virtual polymer library generator☆31Updated last month
- Materials for the course Machine Learning for Molecular Engineering (3/7/10/20.C01/C51)☆16Updated 9 months ago
- Repository for the SCS Spring School on Digital Chemistry☆20Updated last year
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆64Updated this week
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆45Updated last month
- Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint☆26Updated 5 months ago
- A python package for chemical space visualization.☆136Updated 2 months ago
- ☆15Updated last year
- A collection of molecular optimisers and property calculators for use with stk.☆23Updated 2 months ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Updated 2 years ago
- A cross-platform application for visualization of molecular databases.☆33Updated last year
- Molecular Library Toolbox☆57Updated 3 months ago
- Python program for modelling and simulating polymers.☆29Updated last week
- ☆36Updated last year
- Python-based GUI to collect Feedback of Chemist in Molecules☆48Updated 4 months ago
- ☆25Updated last year
- ☆21Updated 4 months ago
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆72Updated last week