openbiosim
by OpenBioSim (Organization)
Open-source software solutions to democratise the use of molecular simulation methods in industry and academia.
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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
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Packages
| Name | Latest Version | Summary | Updated | License |
|---|
| biosimspace | 2025.4.0 | An interoperable Python framework for biomolecular simulation. | Apr 21, 2026 | GPL-3.0-or-later |
| ghostly | 2025.2.0 | Ghost atom bonded term modifications for alchemical free-energy simulations. | Mar 30, 2026 | GPL-3.0-or-later |
| kcombu_bss | 2023.29.01 | A tool for flexible transformation of a target molecule onto a reference molecule. | Mar 25, 2025 | BSD-3-Clause |
| loch | 2025.2.0 | GPU accelerated Grand Canonical Monte Carlo (GCMC) water sampling code. | Apr 21, 2026 | GPL-3.0-or-later |
| openmm | 8.1.2 | A high performance toolkit for molecular simulation. | Mar 25, 2025 | LGPL-3.0-or-later |
| psi4 | 1.9.1 | Open-Source Quantum Chemistry - an electronic structure package in C++ driven by Python | Mar 25, 2025 | LGPL-3.0-only AND BSD-3-Clause AND MIT |
| sire | 2025.4.0 | An advanced molecular modelling framework. | Apr 21, 2026 | GPL-3.0-or-later |
| somd2 | 2025.1.0 | GPU accelerated free-energy perturbation simulation engine. | Apr 21, 2026 | GPL-3.0-or-later |