reymond-group / virtual-reality-chemical-space
Visualizing chemical spaces in virtual reality.
☆10Updated 5 years ago
Related projects: ⓘ
- RDKit wrapper☆48Updated 5 months ago
- In silico chemical library engine for high-accuracy chemical property prediction☆58Updated last month
- RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patch…☆68Updated 2 years ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆59Updated last year
- ☆52Updated 4 years ago
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆59Updated 2 years ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆91Updated 4 months ago
- PyMod 3 - sequence similarity searches, multiple sequence/structure alignments, and homology modeling within PyMOL.☆71Updated 3 months ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆80Updated last year
- ☆18Updated 2 months ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆131Updated last month
- Calculation of interatomic interactions in molecular structures☆68Updated 2 years ago
- Containerised components for cheminformatics and computational chemistry☆35Updated last year
- Structure-informed machine learning for kinase modeling☆50Updated this week
- Calculation of interatomic interactions in molecular structures☆70Updated 2 weeks ago
- A Consensus Docking Plugin for PyMOL☆63Updated 3 months ago
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆30Updated 2 weeks ago
- ☆31Updated 10 months ago
- Framework for the rapid modeling glycans and glycoproteins.☆28Updated 11 months ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆40Updated 4 years ago
- Molecular standardisation tool☆71Updated 4 years ago
- ☆82Updated last year
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆85Updated last month
- ☆32Updated 3 years ago
- ☆16Updated 7 years ago
- A python toolkit for analysing membrane protein-lipid interactions.☆58Updated last year
- Python for chemoinformatics☆106Updated 3 years ago
- A framework for rapidly mining structural information from the Protein Data Bank☆52Updated 4 years ago
- A simple Python library to generate model peptides☆78Updated 3 years ago
- Open source Java-based chemistry library☆81Updated this week