ianreah / Molecules3D
3D chemical structure visualisation with three.js
☆18Updated last year
Alternatives and similar repositories for Molecules3D:
Users that are interested in Molecules3D are comparing it to the libraries listed below
- 3D molecular visualization React component using 3Dmol.js☆66Updated 3 years ago
- 2D/3D generation for small compounds☆32Updated 5 years ago
- MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties online☆86Updated 2 years ago
- A molecular viewer written in Javascript and WebGL☆77Updated 5 years ago
- ☆13Updated last year
- A pocket volume analyzer for use in protein modeling.☆51Updated 2 years ago
- Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.☆13Updated 9 years ago
- OpenMM testbed for constant-pH methodologies.☆22Updated 3 years ago
- 2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js☆80Updated 7 years ago
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆31Updated 4 years ago
- Some collected tools for molecular simulation pipelines☆41Updated 6 years ago
- Visualize atom and non-atom attributions and SMILES strings☆46Updated last year
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Updated 2 years ago
- Retrosynthesis by template prediction (a la Segler and Waller)☆29Updated 6 years ago
- Solvation Structure and Thermodynamic Mapping☆39Updated last year
- Molecular bloom filter tool☆116Updated 3 weeks ago
- Platforms to predict reactivity for substitution reactions.☆19Updated 3 years ago
- JavaScript based molecule structure editor☆15Updated 15 years ago
- ☆51Updated 7 years ago
- Open source Java-based chemistry library☆96Updated this week
- FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …☆37Updated 3 years ago
- Synthetic Bayesian Classification☆41Updated 4 years ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆18Updated 3 weeks ago
- Simplified and standard interface to a number of cheminformatics toolkits☆87Updated last year
- Using neural networks for enhanced sampling in computational biophysics☆16Updated 7 years ago
- A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM☆39Updated 2 years ago
- Notebook-integrated tools for molecular simulation and visualization☆166Updated 7 years ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆123Updated last month
- ☆18Updated 2 years ago
- Challenge inputs, details, and results for the SAMPL6 series of challenges☆53Updated 3 years ago