A set of benchmarks for biomolecular simulation tools
☆14Mar 31, 2025Updated last year
Alternatives and similar repositories for hpcbench
Users that are interested in hpcbench are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆23Jul 29, 2026Updated 3 months ago
- Benchmarks for OpenFF protein force fields☆11Oct 31, 2026Updated last week
- Workshop on the preparation, execution, and analysis of protein molecular dynamics simulations☆13May 7, 2025Updated last year
- ☆51Sep 5, 2024Updated 2 years ago
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆26Jul 17, 2026Updated 3 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A Motif-Based PPI Searching Pipeline for PPI Mining and Protein Design☆22Feb 11, 2025Updated last year
- Materials for 2023 workshop at CCPBioSim Training Week https://www.ccpbiosim.ac.uk/events/upcoming-events/eventdetail/104/-/training-week☆31Sep 27, 2023Updated 3 years ago
- ☆11Nov 26, 2025Updated 11 months ago
- GPU-accelerated molecular docking studio for macOS☆15Updated this week
- Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.☆11Updated this week
- core data models of the Open Free Energy ecosystem☆45Updated this week
- ☆12Apr 21, 2026Updated 6 months ago
- A repository containing the build steps for the ccpbiosim workshop on Clustering.☆11Oct 27, 2026Updated last week
- ☆14Feb 8, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- software used in the paper "Exploring the potential of 3D Zernike descriptors and SVM for protein–protein interface prediction"☆11Oct 21, 2026Updated 2 weeks ago
- Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run l…☆18Updated this week
- Here you will find the laboratory materials for the Intel HPC Developers Conference☆11Nov 13, 2016Updated 9 years ago
- NMR Chemical Shifts from Molecular Dynamics Simulation☆15Sep 17, 2021Updated 5 years ago
- ☆14Mar 8, 2017Updated 9 years ago
- ☆13Aug 19, 2026Updated 2 months ago
- Automatically prepare structures from the PDB for molecular dynamics simulation☆15Updated this week
- MolDockLab is a data-driven workflow developed to identify the best balanced consensus Structure-Based Virtual Screening (SBVS) workflow …☆14Jul 28, 2026Updated 3 months ago
- ☆18Aug 5, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆13Mar 2, 2026Updated 8 months ago
- This repository contains all the course materials that are used in the "Chemo-informatics and computational drug design" course teaches a…☆11Oct 27, 2026Updated last week
- software used in paper "Antibody interface prediction with 3D Zernike descriptors and SVM"☆13Oct 21, 2026Updated 2 weeks ago
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆43Jun 19, 2026Updated 4 months ago
- A collection of virtual screening benchmarking☆12Sep 16, 2023Updated 3 years ago
- CPU/GPU time quotas for users & accounts in Slurm☆21Sep 4, 2026Updated 2 months ago
- JUPITER Benchmark Suite☆27Jul 18, 2025Updated last year
- Translate PBS batch scripts to Slurm☆11Sep 11, 2024Updated 2 years ago
- ☆17Sep 26, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- An efficient, multithreaded weighted histogram analysis (WHAM) implementation for the post-processing of umbrella MD simulations.☆30Apr 1, 2024Updated 2 years ago
- HPC Benchmarks for most popular applications in Chemistry, Physics, Biology, and some other related subjects☆11Dec 20, 2012Updated 13 years ago
- Packs stuff in boxes☆25Jul 7, 2026Updated 4 months ago
- ☆15Feb 27, 2026Updated 8 months ago
- An engine for electrostatic ML embedding for multiscale modelling.☆32Updated this week
- RollingGantryCrane pulls and converts containers to LMOD modules☆12Oct 25, 2021Updated 5 years ago
- Your dedicated research inspiration engine. An agent framework for generating high-quality, structured research ideas.☆13Mar 2, 2026Updated 8 months ago