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BSDExabio
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PSP
protein structure prediction
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Issue 19
#20
rbdavid
closed
2 years ago
0
Implement the minimization task in a subprocess function and separate python script.
#19
rbdavid
closed
2 years ago
3
Write code to explicitly clean up python objects that may be taking up memory at the end of a single task in the pipeline.
#18
rbdavid
closed
2 years ago
1
Issue 14
#17
rbdavid
closed
2 years ago
0
Issue 15 - Merge into main
#16
markcoletti
closed
2 years ago
0
Remove confusing `issue-N` subdirs in `Summit/runs`.
#15
markcoletti
closed
2 years ago
1
Dask-ify the post-AF minimization of structures
#14
rbdavid
closed
2 years ago
2
Issue 12
#13
rbdavid
closed
2 years ago
0
Add an AlphaFold-independent minimization protocol
#12
rbdavid
closed
2 years ago
2
Large-scale application
#11
FreshAirTonight
closed
2 years ago
8
Use --preset=casp14 instead of --preset=reduced_dbs
#10
markcoletti
closed
2 years ago
3
Write protein processing information to separate CSV file.
#9
markcoletti
closed
2 years ago
3
Find an add jax memory flags
#8
markcoletti
closed
2 years ago
1
Run desulfovibrio proteins
#7
markcoletti
closed
2 years ago
3
Run CASP14 tests
#6
markcoletti
closed
2 years ago
2
Develop framework for distributed, parallel AlphaFold processes
#5
markcoletti
closed
2 years ago
4
Develop workaround for GPU memory limit
#4
markcoletti
closed
2 years ago
6
Ongoing Summit I/O tests
#3
benjha
opened
3 years ago
5
Single node test run on Summit
#2
markcoletti
closed
2 years ago
2
Creating singularity image on Raptor
#1
markcoletti
closed
3 years ago
5