Supernova's MM-PBSA binding free energy calculation tool.
☆11Mar 22, 2026Updated this week
Alternatives and similar repositories for s_mmpbsa
Users that are interested in s_mmpbsa are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- GRACE: Generative Renaissance in Artificial Computational Enzyme Design☆19Jan 8, 2025Updated last year
- Fork of library used in reading xtc files from GROMACS simulations☆14Mar 9, 2017Updated 9 years ago
- PPI version of Pythia☆27Sep 12, 2025Updated 6 months ago
- QM/MM Study Group☆15Jan 22, 2019Updated 7 years ago
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆35Mar 12, 2026Updated 2 weeks ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Discontinuous Molecular Dynamics (DMD) Simulation Package☆15Mar 21, 2022Updated 4 years ago
- Fully automated high-throughput MD pipeline☆90Mar 11, 2026Updated 2 weeks ago
- ☆21Jul 22, 2025Updated 8 months ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆24Dec 24, 2025Updated 3 months ago
- Build coarse-grained mapping for molecules from a web-GUI☆18Sep 10, 2021Updated 4 years ago
- implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking☆73Feb 9, 2026Updated last month
- Coarse-grained mapping and parametrisation for the Martini 3 forcefield☆23Updated this week
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆64Jun 27, 2025Updated 9 months ago
- ☆46Feb 17, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆68Jun 1, 2025Updated 9 months ago
- Some tutorials on how to use AMBER simulation package. Especially for Amber22+AmberTools23.☆22Sep 8, 2025Updated 6 months ago
- Automatic MARTINI parametrization of small organic molecules☆73May 28, 2025Updated 9 months ago
- calculate chemical bond strength in solids, surfaces and molecules☆24Sep 6, 2025Updated 6 months ago
- What exactly are the non-canonical amino acids in the Rosetta database folder?☆12Feb 16, 2020Updated 6 years ago
- ☆29Aug 14, 2022Updated 3 years ago
- Several QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.☆24Oct 18, 2019Updated 6 years ago
- ☆20Nov 24, 2025Updated 4 months ago
- Source code of Venus-MAXWELL: Efficient Learning of Protein-Mutation Stability Landscapes using Protein Language Models☆23Jun 3, 2025Updated 9 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆13May 19, 2024Updated last year
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- Westlake BioBank for Chinese pilot project☆10May 17, 2023Updated 2 years ago
- Energy minimization post-processing used in PoseBusters☆14Apr 4, 2025Updated 11 months ago
- Temperature generator for Replica Exchange MD simulations☆29Dec 14, 2022Updated 3 years ago
- ☆21Oct 2, 2024Updated last year
- Rosetta翻译☆29Dec 7, 2022Updated 3 years ago
- Interface for Non-Adiabatic Quantum mechanics/molecular mechanics in Solvent☆10Feb 10, 2026Updated last month
- Repository containing scripts and analysis for ML-Guided Acyl-ACP Reductase Engineering paper☆11Nov 21, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆12Jul 30, 2019Updated 6 years ago
- Foldy: a web-based platform for interactive protein structure analysis☆29Oct 28, 2025Updated 4 months ago
- Python implementation of the Ramachandran plot☆56Jul 20, 2025Updated 8 months ago
- ☆30Updated this week
- 这里提供了一个yaml可以通过conda来快速无痛一键安装ESMfold，算是已经踩过所有通过官方安装遇到的暗坑了。☆18Jan 31, 2024Updated 2 years ago
- ☆20Mar 20, 2025Updated last year
- Python3 translation of AutoDockTools☆135May 31, 2024Updated last year