MolQL / molql
Molecular Query Language
☆30Updated 4 months ago
Related projects ⓘ
Alternatives and complementary repositories for molql
- A primer on statistical mechanics for biochemists☆46Updated 2 years ago
- mmCIF Core Access Library☆38Updated this week
- Pymol ScrIpt COllection (PSICO)☆57Updated 3 months ago
- Calculation of interatomic interactions in molecular structures☆79Updated 2 months ago
- An open-source library for the analysis of protein interactions.☆29Updated 2 years ago
- ☆17Updated this week
- MD trajectory server☆35Updated last year
- Source code for HOLE program.☆30Updated 3 months ago
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆41Updated 8 months ago
- A repo for analysis of ensembles of protein-ligand complexes☆29Updated last year
- ☆32Updated 3 months ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆33Updated 2 months ago
- Automated omics-scale protein modeling and simulation setup.☆52Updated 3 years ago
- A software research tool for the analysis of structural communication in protein ensembles☆13Updated 2 years ago
- BinaryCIF is a data format for storing text based CIF files using a more efficient binary encoding.☆23Updated last month
- pKa estimates for proteins using an ensemble approach☆27Updated last month
- Protein structure descriptors and alignment based on 3D Zernike moments.☆33Updated 9 months ago
- A command line application to launch molecular dynamics simulations with OpenMM☆39Updated 2 years ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆50Updated 3 weeks ago
- python program for analyzing isothermal titration calorimetry data☆28Updated 5 years ago
- FreeSASA Python Module☆48Updated last year
- Dynamics PyMOL Plugin☆40Updated 7 months ago
- Control PyMOL sessions via IPython☆55Updated 2 years ago
- MMTSB Tool Set☆30Updated 2 weeks ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆57Updated 3 years ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆36Updated 7 months ago
- Simple library for reading trajectory coordinates☆17Updated 8 years ago
- Protein and nucleic acid validation service☆61Updated 8 months ago
- Modeling with limited data☆54Updated last week
- Functions to scrape GPCR data from the web.☆16Updated 3 years ago