Scipion-Chem
Scipion plugin. Base Scipion plugin defining objects and protocols for CHEMoinformatics and virtual drug screening.
Scipion is a workflow engine well suited for structural studies of biological macromolecules. Scipion-chem is a new branch oriented to virtual drug screening (VDS). A total of 11 plugins have already been integrated from the most common programs used in the field. They can be used through the Scipion graphical user interface to execute and analyze typical VDS tasks. In addition, we have developed several consensus protocols that combine results from the different integrated programs to generate more robust predictions. Backstage, Scipion also facilitates the interoperability of those different software packages while tracking all of the intermediate files, parameters, and user decisions.
This accessible, interoperable, and traceable platform provides the user with all of the tools to carry out a successful VDS workflow. Scipion-chem is openly available at https://github.com/scipion-chem.
Basic Information
| Repository | https://github.com/scipion-chem/scipion-chem |
| Documentation | https://scipion-chem.github.io/docs/ |
| Seminar | Carlos Oscar Sorzano presents the tool Scipion Chem |
| Main publication (DOI) | 10.1021/acs.jcim.3c01085 view |
| Contact email | coss@cnb.csic.es |
| Authors/Maintainers | Carlos Oscar Sorzano |
| Type of application | Desktop application |
| Programming languages | Python |
| Keywords | Drug Discovery and design, Molecular Interactions/Docking, Virtual screening |
Technical details
| Input file formats | |
| Output file formats | |
| Software compatibility | Linux |
| Hardware requirements | |
| Type of containerization | Conda |
| Wrapper type | None |
| Compatible tools | Scipion |
| Funding resource | |
| Funding support |
Statistics
| Unique users (last 12 months) | |
| Unique users (since first release) | |
| Software downloads (last 12 months) | |
| Software downloads (since first release) | |
| Jobs submitted (last 12 months) | |
| Jobs submitted (since first release) | |
| Repository clones (last 12 months) | |
| Repository clones (since first release) | |
| Citations (last 12 months) | <100 (~1 as of 15/10/2026) |
| Citations (since first release) | <100 (8 as of 15/10/2026) |
| Early-stage researcher effort (development) | |
| Early-stage researcher effort (maintenance) | |
| Technician-supported effort (development) | |
| Technician-supported effort (maintenance) | |
| Other effort (development) | |
| Other effort (maintenance) | |
| Total effort (development) | |
| Total effort (maintenance) |