TinkerTools / tinker-ffeLinks
Tinker-FFE: Molecular Engineering GUI for Tinker
☆11Updated last month
Alternatives and similar repositories for tinker-ffe
Users that are interested in tinker-ffe are comparing it to the libraries listed below
Sorting:
- Tinker-GPU: Next Generation of Tinker with GPU Support☆54Updated 3 weeks ago
- Common molecule fragments for visualization in Avogadro☆17Updated 7 months ago
- Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.☆15Updated 4 years ago
- Quantum Chemistry is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew …☆21Updated 2 years ago
- This module includes functions that can be used to simulate mechanochemical phenomena.☆10Updated 3 years ago
- Amons-based quantum machine learning for quantum chemistry☆24Updated 3 years ago
- JupyterLab extension for py3Dmol☆20Updated 3 years ago
- Python input file generators for Avogadro 2☆16Updated 7 months ago
- Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…☆28Updated last week
- A dissipative particle dynamics (DPD) project.☆11Updated 2 years ago
- Calculating paramagnetic NMR effects in proteins☆10Updated 3 years ago
- OMNI-P2x: A universal neural network potential for excited states☆11Updated 3 months ago
- ☆28Updated last year
- A codebase for classical molecular dynamics (MD) simulation setup and results analysis.☆24Updated last year
- MoleView: A Fast and lightweight plug-in for 3D molecular visualization☆30Updated 6 months ago
- PHP/MySQL-based chemical inventory/Electronic Lab Notebook for chemistry☆13Updated last year
- ML4Chem: Machine Learning for Chemistry and Materials☆98Updated 8 months ago
- ☆25Updated last month
- Statistical Mechanics for Chemistry and Biology☆12Updated 3 months ago
- ☆20Updated 2 years ago
- molecule design for fluorescence☆11Updated 3 years ago
- Tools to facilitate NLP of scientific literature☆16Updated 3 years ago
- Modern and fast molecular analysis and modeling library for C++ and Python☆35Updated 4 months ago
- Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite☆19Updated last year
- An exploration of the state of the art in the application of data science to quantum chemistry.☆13Updated this week
- an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)☆41Updated 2 years ago
- ☆14Updated last year
- Mapping from Coarse Grain Models to Atomistic (and Back)☆17Updated last year
- Extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files☆21Updated 4 years ago
- Python library for optimizing molecular structures and determining chemical reaction pathways.☆17Updated last year