denoptim-project
by denoptim-project
Project for the development of general-purpose molecular design tools and more.
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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
- Temporary
- Configured
Packages
| Name | Latest Version | Summary | Updated | License |
|---|
| autocompchem | 3.5.0 | Package for automation of computational chemistry tasks. | Apr 24, 2026 | AGPL-3.0-only |
| denoptim | 4.5.1 | Package for de novo design and virtual screening of functional molecules of any kind. | Mar 5, 2026 | AGPL-3.0-only |
| dnptools | 0.0.4 | Python utilities for working with DENOPTIM (https://github.com/denoptim-project/DENOPTIM) | Mar 25, 2025 | AGPL-3.0 |
| ringclosingmm | 1.0.1 | Ring closing molecular modeling using an OpenMM engine | Dec 16, 2025 | AGPL-3.0 |