raimis
by Raimondas Galvelis
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Usage Instructions
To install packages from this channel, use the channel temporarily with conda or add it to your .condarc file for configured ongoing access. Learn more
- Temporary
- Configured
Packages
| Name | Latest Version | Summary | Updated | License |
|---|
| acemd3 | 3.5.1 | — | Mar 25, 2025 | — |
| nnpops | 0.3rc0 | High performance implementations of operations used in Neural Network Potentials | Mar 25, 2025 | MIT |
| nnpops-pytorch | 0.0.0a5 | Optimized operations for the neural network potentials | Mar 25, 2025 | MIT |
| openmm | 7.5.0b1 | A high performance toolkit for molecular simulation. | Mar 25, 2025 | LGPL-3.0-or-later |
| openmm-torch | 1.3rc.575d4 | OpenMM plugin to define forces with neural networks | Mar 25, 2025 | MIT |
| psi4 | 1.3.2+82e852b | — | Mar 25, 2025 | — |
| pytorch-geometric | 2.0.2 | — | Mar 25, 2025 | — |