David L. Dotson comments

Results 237 comments of


                                            David L. Dotson

Bumping CI Neo4j version to 5.19

We should wait to merge any solution to #291 until after we have resolved this, otherwise it's possible that our changes pass our tests for 5.18 but don't actually work...

Bumping CI Neo4j version to 5.19

Blocking #292.

Bumping CI Neo4j version to 5.19

@ianmkenney can we characterize these failure further? Do we know why we see test suite failures when we set neo4j > 5.18?

Add periodic checks by compute services that their claimed `Task`s are actioned by at least one active `AlchemicalNetwork`; halt execution and drop claim for those `Task`s that are not

Originally raised by @JenkeScheen here: https://github.com/asapdiscovery/asapdiscovery/issues/1196

Replace "passlib" with direct calls to bcrypt

Thanks for raising this @LilDojd! Really appreciate your help with this. :pray: Will review your PR #306 as part of our next sprint cycle.

WIP adopt code from py2neo to remove the use of the `id` function in cypher queries

Closes #291.

Replace passlib with bcrypt

@LilDojd thanks again for doing this! I simplified the implementation to avoid unnecessary state in the `BcryptPasswordHandler`, along with comments on the rationale for various bits. Let me know what...

Replace passlib with bcrypt

Excellent, thank you for that sanity check @LilDojd, as well as the NULL check! I'll merge shortly once tests pass!

Implement fancy guessers (e.g., force-field aware)

@mnmelo the `Topology` object only holds the information; it doesn't manage the `AtomGroup`, `ResidueGroup`, and `SegmentGroup` definitions. The `Universe` is ultimately what does this, so it make sense for the...

Protein mutation protocol for alchemiscale

Excellent, thanks for this @ijpulidos!