franticspider / stringmol
Automata Chemistry
☆14Updated 2 years ago
Related projects ⓘ
Alternatives and complementary repositories for stringmol
- Container-based installation of pymol, with interaction through the browser via Jupyter notebook☆18Updated 5 years ago
- A primer on statistical mechanics for biochemists☆46Updated 2 years ago
- Make valid molecular graphs!☆22Updated 8 months ago
- Automated omics-scale protein modeling and simulation setup.☆53Updated 3 years ago
- SMARTS: 'regular expressions' for chemical structures☆18Updated 6 years ago
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.☆14Updated 10 years ago
- A curated list of awesome Molecular Modeling And Drug Discovery 🔥☆10Updated 2 years ago
- ☆20Updated 4 years ago
- The python implementation of the MMTF API, decoder and encoder.☆46Updated 2 years ago
- ☆12Updated 9 years ago
- Datasets for open forcefield parameterization and development☆11Updated 5 years ago
- View proteins and trajectories in the terminal☆103Updated 4 years ago
- Graph Inference on MoLEcular Topology☆26Updated last year
- Interactive Python notebooks for PDBe API training☆44Updated last week
- Visually explore covariation in protein families☆37Updated 4 years ago
- Data visualizations for biomolecular dynamics☆17Updated 6 years ago
- Information sharing portal about nCov/SARS/MERS for drug discovery☆38Updated last month
- ☆32Updated 2 years ago
- Fast and accurate protein structure prediction☆49Updated last year
- The specification of the MMTF format for biological structures☆44Updated 9 months ago
- CHAP is a tool for the functional annotation of ion channel structures:☆20Updated 9 months ago
- Create macromolecular images☆30Updated last month
- An extension to the MDAnalysis library providing support for dealing with structural ensembles. There is currently support for calculatin…☆13Updated 6 years ago
- To analyze fluctuations in DNA or RNA structures in molecular dynamics trajectories.☆22Updated last year
- ☆103Updated 8 years ago
- C++ Accelerated Python Diffusion Maps Library☆24Updated 6 years ago
- Python script to lookup pKa values☆23Updated 3 weeks ago
- Neural networks for amino acid sequences☆20Updated 6 years ago
- Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…☆41Updated 2 years ago
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago