☆12Jul 30, 2019Updated 6 years ago
Alternatives and similar repositories for ff19SB_201907
Users that are interested in ff19SB_201907 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- a VMD plugin for binding affinity prediction using end-point free energy methods☆28Apr 23, 2016Updated 9 years ago
- Force fields in various formats☆26May 2, 2024Updated last year
- This is an old archived repository that we keep for our records. Please use recent GENESIS repository and do not use this one.☆11Sep 15, 2022Updated 3 years ago
- Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.☆11Jul 15, 2024Updated last year
- Example files for Colvars module: https://github.com/Colvars/colvars☆13Dec 7, 2021Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- MSU ProFlex (formerly called FIRST) predicts the rigid and flexible regions in a protein structure, given a Protein Data Bank (PDB) file …☆10Apr 16, 2022Updated 3 years ago
- Please use OFFICIAL repo: https://github.com/alanwilter/acpype☆13Dec 30, 2019Updated 6 years ago
- How to start with Jupyter, Python, Libs, Github and Models☆13May 18, 2022Updated 3 years ago
- AstraZeneca add-ons to Orange.☆23Jun 15, 2020Updated 5 years ago
- Some useful VMD scrpits☆10May 24, 2016Updated 9 years ago
- Jupyter Notebooks for Python Introduction, University of Basel, May 2020☆14May 15, 2020Updated 5 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- ☆10Dec 27, 2019Updated 6 years ago
- Source code for HOLE program.☆39Aug 15, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Different run and analysis scripts as described in the research guides.☆14Jul 5, 2022Updated 3 years ago
- A molecular dynamics simulation of liquid argon using a Lennard-Jones potential.☆13Aug 29, 2023Updated 2 years ago
- Compare optimized geometries and energies from various force fields with respect to a QM reference.☆13Apr 19, 2021Updated 4 years ago
- Ramirez Lab WIKI, where you could find Tutorials, Script Library, Gallery, FAQ, and a little bit more☆13Sep 11, 2024Updated last year
- Python script that creates 2D protein-ligand interaction images☆14Apr 23, 2018Updated 7 years ago
- Dynamics PyMOL Plugin☆48Apr 19, 2024Updated last year
- An extra search package☆26Apr 12, 2023Updated 2 years ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆172Mar 11, 2026Updated 2 weeks ago
- ☆16Apr 10, 2019Updated 6 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- VMD Audio/Text control with natural language☆19May 12, 2021Updated 4 years ago
- Supernova's MM-PBSA binding free energy calculation tool.☆11Mar 22, 2026Updated last week
- Implementation scripts of Machine Learning algorithms on Scikit-learn and Keras for complete novice..☆18Jul 22, 2018Updated 7 years ago
- Software to make and render molecular movie animations☆11Aug 3, 2019Updated 6 years ago
- An efficient approach to RMSD-Based HDBSCAN Clustering of long Molecular Dynamics☆18Sep 11, 2022Updated 3 years ago
- ☆16Jul 26, 2024Updated last year
- ☆11Nov 22, 2024Updated last year
- Dockerized Version of the DiffDock model from MIT☆13May 22, 2023Updated 2 years ago
- Yasara Plugin for QM calculations☆14May 9, 2024Updated last year
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆13Mar 26, 2024Updated 2 years ago
- Python script to perform fingerprinting and calculate Tanimoto similarities on multiple compounds.☆21Mar 29, 2025Updated last year
- AdaptivePELE is a Python package aimed at enhancing the sampling of molecular simulations☆16Oct 10, 2023Updated 2 years ago
- Data from the COVID Moonshot project☆20Nov 9, 2023Updated 2 years ago
- A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD☆15Mar 20, 2026Updated last week
- Jupyterlab extension containing a UI for debugging☆10Dec 2, 2019Updated 6 years ago
- MM/PBSA binding free energy calculation☆22May 31, 2024Updated last year