subgraph's People
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hossam-zakisubgraph's Issues
re-enable sharing of this knowledge graph
add citations to tools in the knowledge graph
Simplify the structure of the repo and import projects as (hidden) submodules
Adding OpenMM to the graph
creating or identifying a docker container for OpenMM and giving it a simple interface that one could use to run molecular dynamics, for example 1) to make sure a predicted protein structure is stable or 2) validate a predicted ligand-protein pose is stable (https://github.com/openmm/openmm as a link).
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