Multi platform molecular dynamics simulator for coarse-grained MD simulation on GPU.
☆15Oct 2, 2026Updated last month
Alternatives and similar repositories for OpenCafeMol
Users that are interested in OpenCafeMol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- C++11/Python3 library to read/write High Speed AFM data file☆14Apr 14, 2023Updated 3 years ago
- ☆19May 21, 2026Updated 5 months ago
- Prepare topology and coordinate file for CG models in Genesis.☆13Oct 27, 2026Updated 2 weeks ago
- No description yet.☆19Aug 8, 2024Updated 2 years ago
- PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Comp…☆17Mar 18, 2026Updated 7 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Run OpenMM with forces provided by any Python program☆44Dec 25, 2024Updated last year
- This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…☆24Oct 31, 2025Updated last year
- Source, test set, and document for Molecular Dynamics software, GENESIS.☆44Oct 21, 2026Updated 3 weeks ago
- Molecular dynamics simulation skills for AI agents☆17Updated this week
- Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another not…☆39Apr 27, 2025Updated last year
- Musical for ImageJ☆11Jul 18, 2023Updated 3 years ago
- ☆14May 18, 2025Updated last year
- Interface enabling use of ANI-style, and other NN-IPs in the Amber molecular dynamics software suite. Works with both Amber engines, sand…☆18Oct 27, 2026Updated 2 weeks ago
- An AI-powered tool that automatically converts academic papers (PDF) into presentation slides for research group meetings☆17May 3, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆68Dec 10, 2025Updated 11 months ago
- Python script to run Vina-GPU against the AlphaFold proteome of any species☆10Apr 23, 2026Updated 6 months ago
- Reversible molecular simulation☆14May 28, 2025Updated last year
- general purpose coarse-grained molecular dynamics simulation package☆35Jan 27, 2023Updated 3 years ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆11Aug 1, 2026Updated 3 months ago
- 2D Protein-Ligand Interaction Generator with PLIP output☆10Sep 7, 2025Updated last year
- ☆27Sep 14, 2026Updated last month
- Repository of computational biochemistry protocols for the Amber package☆12Oct 4, 2024Updated 2 years ago
- ☆26Jun 16, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM☆19Oct 31, 2026Updated last week
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆14Jul 8, 2025Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- Weighted Ensemble Data Analysis and Plotting☆27Jul 17, 2026Updated 3 months ago
- ☆13Jun 7, 2025Updated last year
- mdml: Deep Learning for Molecular Simulations☆56May 17, 2025Updated last year
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Apr 12, 2022Updated 4 years ago
- GPU移植のための実装例(直接法に基づくN体計算)☆17Aug 17, 2026Updated 2 months ago
- Official implementation of "Rigidity-Aware Geometric Pretraining for Protein Design and Conformational Ensembles" (ICLR 2026)☆20Mar 16, 2026Updated 7 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆14Aug 26, 2026Updated 2 months ago
- A Javascript library and stand-alone Electron app for RNA secondary structure interactive plotting☆19Oct 23, 2026Updated 2 weeks ago
- The Surface Assessment via Grid Evaluation (SuAVE) software was developed to account for the effect of curvature in the calculations of s…☆12Jun 7, 2026Updated 5 months ago
- gpu implementation mopac☆16Updated this week
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- Utility to run RosettaCommons tools☆15May 5, 2026Updated 6 months ago
- MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules☆23Mar 21, 2025Updated last year
Are these results useful?