Lucandia / molecule-icon-generator
Generate nice icons of molecules with a python script
☆75Updated 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:
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆45Updated 8 months ago
- ☆51Updated 9 months ago
- Draw molecules with plotly!☆44Updated last month
- ☆25Updated 3 years ago
- Enable cheminformatics and quantum chemistry☆74Updated last year
- Python program for modelling and simulating polymers.☆35Updated this week
- Automated machine learning protocols that start from CSV databases of descriptors or SMILES and produce publication-quality results in Ch…☆47Updated this week
- Chemical Structure Handling for Pandas DataFrames☆33Updated 2 years ago
- DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …☆54Updated 6 months ago
- ☆58Updated last month
- ☆68Updated 10 months ago
- This repository includes pKa data digitized and curated from reference books published by IUPAC.☆56Updated last week
- Hands-on workshop showing good software development practices to create a Python package.☆39Updated last year
- A cross-platform application for visualization of molecular databases.☆33Updated 2 years ago
- Fragment molecules for quantum mechanics torsion scans☆43Updated 2 weeks ago
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆97Updated 10 months ago
- Package for consistent reporting of relative free energy results☆39Updated 2 weeks ago
- ☆64Updated last year
- ☆24Updated 7 months ago
- ai_in_chemistry_workshop☆77Updated 8 months ago
- Pyssian is an object oriented library for parsing Gaussian logfiles and input files which aims to facilitate the everyday scripting of co…☆19Updated 2 weeks ago
- Sire Molecular Simulations Framework☆54Updated this week
- Molecular bloom filter tool☆117Updated 3 weeks ago
- Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and comman…☆109Updated 2 weeks ago
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆75Updated this week
- Calculate Sterimol Parameters from Sructure Input/Output Files☆21Updated 4 years ago
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆69Updated this week
- ☆14Updated last year
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆29Updated last year
- Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents☆29Updated 2 years ago