TinkerTools / tinker-ffeLinks
Tinker-FFE: Molecular Engineering GUI for Tinker
☆11Updated 3 weeks ago
Alternatives and similar repositories for tinker-ffe
Users that are interested in tinker-ffe are comparing it to the libraries listed below
Sorting:
- 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
- Python input file generators for Avogadro 2☆16Updated last week
- Tinker-GPU: Next Generation of Tinker with GPU Support☆55Updated last week
- MoleView: A Fast and lightweight plug-in for 3D molecular visualization☆30Updated 7 months ago
- Common molecule fragments for visualization in Avogadro☆17Updated last week
- Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.☆15Updated 4 years ago
- JupyterLab extension for py3Dmol☆22Updated 3 years ago
- Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…☆28Updated last week
- ML4Chem: Machine Learning for Chemistry and Materials☆98Updated 9 months ago
- molecule design for fluorescence☆12Updated 3 years ago
- Amons-based quantum machine learning for quantum chemistry☆25Updated 3 years ago
- ☆12Updated this week
- ☆14Updated last year
- Calculating paramagnetic NMR effects in proteins☆10Updated 3 years ago
- Examples for the book 'Data Science in Chemistry', ISBN: 978-3-11-062939-2, Published: 23 Nov 2020☆16Updated 3 years ago
- Deep Molecular Dreaming☆26Updated last year
- A codebase for classical molecular dynamics (MD) simulation setup and results analysis.☆26Updated last year
- Modern and fast molecular analysis and modeling library for C++ and Python☆35Updated 5 months ago
- A mini-course offered to Undergrad chemistry students☆21Updated 3 years ago
- Python tools for quantum chemical calculations☆20Updated last year
- OMNI-P2x: A universal neural network potential for excited states☆11Updated 4 months ago
- Extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files☆21Updated 4 years ago
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆32Updated 11 months ago
- A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.☆52Updated last year
- Data visualizations for biomolecular dynamics☆17Updated 6 years ago
- Mapping from Coarse Grain Models to Atomistic (and Back)☆17Updated last year
- ☆11Updated 3 years ago
- ☆25Updated last month
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Updated 2 years ago
- ☆20Updated 2 years ago