The Cambridge Crystallographic Data Centre (Open Source)
- 77 followers
- Cambridge, United Kingdom
- https://www.ccdc.cam.ac.uk
- @ccdc_cambridge
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csd-python-api-scripts
csd-python-api-scripts PublicExample scripts using the CSD Python API
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science-paper-rf-machine-learned-scoring-2022
science-paper-rf-machine-learned-scoring-2022 Public -
hotspots
hotspots PublicForked from prcurran/hotspots
A knowledge-based method for determining small molecule binding "hotspots".
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collaboration-bestcsp-experimental-data
collaboration-bestcsp-experimental-data PublicSharing of experimental data for validating computational methods as part of the BEST-CSP project, see https://www.cost.eu/actions/CA22107
Repositories
Showing 10 of 149 repositories
- packer-ccdc-basebox-rhel Public
- science-paper-protac-conformer-generator-2025 Public
Data-driven generation of conformational ensembles and ternary complexes for PROTAC and other Chimera systems
- science-paper-mofs-2020 Public
Targeted classification of metal–organic frameworks in the Cambridge Structural Database
- science-paper-mechanical-properties-2018 Public
Supporting code for https://doi.org/10.1039/C8CE00454D
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