philipturner / openmm-metalView external linksLinks
OpenMM Metal Plugin
☆18Aug 20, 2024Updated last year
Alternatives and similar repositories for openmm-metal
Users that are interested in openmm-metal are comparing it to the libraries listed below
Sorting:
- ☆11Apr 24, 2025Updated 9 months ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated 7 months ago
- This package contains tools for setting up hybrid-topology FE calculations☆37Updated this week
- PharML is a framework for predicting compound affinity for protein structures. It utilizes a novel Molecular-Highway Graph Neural Network…☆13May 8, 2020Updated 5 years ago
- ☆18Nov 10, 2021Updated 4 years ago
- Standalone charge assignment from Espaloma framework.☆46Oct 10, 2025Updated 4 months ago
- ☆21Apr 20, 2024Updated last year
- Algorithms for various Network Layouts and Tooling for planning FE Calculations☆20Updated this week
- SE(3)-equivariant point cloud networks for virtual screening☆24Apr 29, 2023Updated 2 years ago
- ☆24Jun 16, 2025Updated 8 months ago
- faster docking☆19Apr 7, 2021Updated 4 years ago
- Manycore Processor Software Stack☆29Jan 13, 2024Updated 2 years ago
- A generic implementation of tensor einsum in Fortran.☆30Jan 29, 2021Updated 5 years ago
- Graph Inference on MoLEcular Topology☆26Mar 25, 2023Updated 2 years ago
- Molecular docking with Alchemical Interaction Grids☆30Nov 6, 2025Updated 3 months ago
- Create and deploy virtual-experiments - co-processing computational workflows☆10Jan 28, 2026Updated 2 weeks ago
- An example of how to write a plugin for OpenMM☆31Jan 25, 2024Updated 2 years ago
- ☆28Aug 20, 2022Updated 3 years ago
- OpenMM plugin to define forces with neural networks☆32Jan 9, 2020Updated 6 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Jan 22, 2026Updated 3 weeks ago
- A hackable Model Context Protocol (MCP) gateway☆38Feb 11, 2026Updated last week
- PARADIS, a lightweight and flexible weather forecast model that tries to Keep It Simple.☆25Feb 4, 2026Updated last week
- ext_mpi_collectives☆11Apr 1, 2025Updated 10 months ago
- An application for configuring and running simulations with OpenMM☆76Oct 30, 2025Updated 3 months ago
- Memory Topology for GPUs☆17Updated this week
- Sugar makes Velodrome and Aerodrome devs life sweeter 🍭☆15Feb 4, 2026Updated last week
- OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.☆11Feb 7, 2025Updated last year
- Modern and fast molecular analysis and modeling library for C++ and Python☆35Apr 21, 2025Updated 9 months ago
- ☆38May 22, 2024Updated last year
- Folding@home GPU benchmark☆35Jan 9, 2023Updated 3 years ago
- An automated framework for generating optimized partial charges for molecules☆39Jan 2, 2026Updated last month
- The Forward-Forward Algorithm for Drug Discovery☆33Dec 30, 2022Updated 3 years ago
- A heterogeneous OpenCL implementation of AutoDock Vina☆88Oct 27, 2023Updated 2 years ago
- Diffusion for EEG☆11Jan 2, 2023Updated 3 years ago
- RPMD and rate constant calculations on black-box potential energy surfaces☆15Feb 8, 2026Updated last week
- Sequential Parameter Optimization in Python☆14Jan 12, 2026Updated last month
- From cryo-EM density map to atomic structure☆23Feb 7, 2026Updated last week
- A ComfyUI extension that enables seamless sharing of AI-generated images and videos directly to Discord.☆11Updated this week
- 2D time-domain isotropic (visco)elastic FD modeling and full waveform inversion (FWI) code for SH-waves☆13Aug 9, 2020Updated 5 years ago