License
MDFactory licensing and third-party software notices
MIT License
MDFactory is released under the MIT License.
MIT License
Copyright (c) 2025 Merck KGaA, Darmstadt, Germany
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:
The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.
THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.Third-party software
MDFactory integrates with several external tools. Most dependencies are open-source and installed automatically. For parametrization methods:
- SMIRNOFF (OpenFF) can be used without an external commercial or third-party license.
- CGenFF requires a separate third-party license from SilcsBio.
CGenFF
SilcsBio license required for CGenFF
The CGenFF (CHARMM General Force Field) program is third-party software developed by SilcsBio / University of Maryland. It is not included with MDFactory.
You must obtain a valid SilcsBio CGenFF license to use parametrization: cgenff.
If you do not have a SilcsBio CGenFF license, use SMIRNOFF (parametrization: smirnoff) instead.
- Website and license: cgenff.silcsbio.com
- See the Parametrization guide for configuration details