About this notice
Pharmacophore combines independently developed research workflows with third-party open-source software and publicly available scientific resources. The third-party components remain subject to their respective copyright holders' terms. A listing here does not imply that the third-party authors sponsor, certify or endorse Pharmacophore.
Initial notice prepared 26 September 2026 from supplied backend and worker source archives. Exact deployed versions, individual-package copyright notices and transitive dependencies must also be checked against the production build.
Principal software acknowledgements
| Component | Primarily relevant modules | Licence / qualification | Official source and terms |
|---|---|---|---|
| RDKit | Cheminformatics and molecule-processing workflows | BSD 3-Clause; copyright attribution to Rational Discovery LLC, Greg Landrum, Julie Penzotti and other contributors, as provided by the project. | RDKit licence |
| AutoDock Vina | DockForge and applicable docking-enabled worker images | Apache License 2.0. The build manifests reference the Vina 1.2.5 binary; verify the running image. | Project and licence · Apache 2.0 full text |
| Open Babel | Docking and molecular-conversion worker images | GNU GPL v2 for upstream Open Babel. Applicable obligations depend on the exact package, integration and whether it is distributed. | Project and licence · GPL v2 full text |
| OpenMM | MDForge | Mixed licences: MIT for public API, CPU and reference implementation; LGPL for GPU backends including CUDA. Other bundled portions retain their individual licences. | Licence overview · Detailed licences |
| MDTraj | MDForge | GNU LGPL v2.1 or later, subject to independently licensed sub-portions. | MDTraj repository and terms |
| AmberTools / ambertools-unofficial | MDForge | Mixed licences, including GPL 3.0-or-later, LGPL 3.0-or-later, BSD 3-Clause, MIT and CC BY-SA 4.0 for specified DFTB parameter files. The repackaging is unofficial and does not imply affiliation with Amber developers. | Distribution/licence information · Official project |
| pyDOE2 / pyDOE3 | DoEForge; applicable shared backend | BSD 3-Clause; retain original project notices when redistributing. | pyDOE3 project · Licence text |
| PaDEL-Descriptor | Descriptor/fingerprint workflows when invoked | Core project code is described by its authors as public domain; components such as CDK and other bundled libraries remain subject to their separate licences. Check the actual installed JAR and package. | Author licence statement |
This is the principal-component notice, not a complete software bill of materials. Python dependencies, transitive libraries, OS packages, model weights and frontend packages must be reconciled with the deployed environment before marking the inventory complete.
Scientific data and content acknowledgements
| Resource | Applicable terms | Source |
|---|---|---|
| STRING | STRING data and downloads are offered under CC BY 4.0. Appropriate credit, licence reference and an indication of modifications are required where those data are used in reports or redistributed. | STRING licensing · CC BY 4.0 |
| Reactome | Database annotation data: CC0. Pathway illustrations and art: CC BY 4.0. Software: generally Apache 2.0, subject to repository-specific copyleft exceptions. FoamTree and some materials have special terms. | Reactome current licence agreement |
| PubChem and contributor-supplied records | Use of records, descriptors and third-party deposited materials must follow applicable NCBI policies and source-specific rights, where relevant. This notice does not grant rights to restricted deposited content. | PubChem |
When figures or scientific reports incorporate third-party content, attribution may additionally appear beside the individual figure, dataset, result or report. Material-specific attribution is not replaced by this general website page.
Scope of rights and scientific use
Third-party rights
Open-source licence terms govern the covered third-party code and do not, by themselves, license Pharmacophore's independently owned code, proprietary models, platform branding or trademarks. Copyright remains with the respective owners. Specific licence terms take precedence over this explanatory notice.
Scientific limitations
Computational models, docking, molecular dynamics, descriptor calculations, solubility and compatibility predictions support research screening. Their outputs are not proof of safety, efficacy, binding, clinical utility or experimental compatibility and require appropriate independent validation.
Licence information and source-code requests
For questions about third-party acknowledgements, notices accompanying distributed software or applicable requests for corresponding source under an open-source licence, please contact Pharmacophore using the contact method published on our main website. Source-code rights and availability are assessed under each specific applicable licence.
A public notice does not replace licence copies, attribution files, source-code delivery or any written offer that must accompany an actual distribution of a covered software package. Commercial rights to third-party models and datasets also require separate verification.
This page is informational and is not a representation that all third-party permissions or distribution obligations have been independently cleared.