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At GOC 2019b in Berkeley, we briefly discussed providing these kinds of reactions with either more specific types, e.g. something along the lines of 'protein complex disassembly' for dissociation and,…
goodb updated
4 years ago
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Dr.Faklerus raised a question on the NWCHEM forum, saying failing to run the QA for f2 IP-EOMCCSD calculation.
I find there is no prolem to finish the calculation using the original input to get the …
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**Submitting author:** @albi3ro (Christina Colleen Lee)
**Repository:** https://github.com/albi3ro/M4
**Version:** v_jose-submit
**Editor:** @katyhuff
**Reviewers:** @IanHawke, @william-pfalzgraff
*…
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**For which schema is a change/update being suggested?**
`project_role` should be an ontology rather than an enum?
ArrayExpress use this term https://www.ebi.ac.uk/ols/ontologies/efo/terms?s…
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Hi,
There are some cite information at the beginning of .java file.
e.g. {@cdk.cite EIS95} in NeighborList.java.
Where can I find the name of the cited paper?
Or at least for EIS95, which pape…
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**Submitting author:** @Cavenfish (Brian Ferrari)
**Repository:** https://github.com/Cavenfish/autogamess
**Version:** 1.0.31
**Editor:** @jedbrown
**Reviewers:** @arosen93, @shivupa, @colleeneb
**A…
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**Submitting author:** @connorourke (Conn O'Rourke)
**Repository:** https://github.com/connorourke/crystal_torture
**Version:** v1.0.3
**Editor:** @katyhuff
**Reviewers:** @vahtras, @mkhorton
**…
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Shall we replace test() in NeuralNet.py with model.eval()? The test() calls one time epoch. But if our model has dropout, the test won't be correct (maybe I am not familiar with the code enough. So I …
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Hi,
I am a Research Data Management Specialist at the National Computation Infrastructure, Australia and we are interested in potentially promoting pangeo and providing a deployment here for our cl…