Commits · master · Rogers, David / launchad

26 Apr, 2021 1 commit
- Updated rescore for intra-pq parallelism. · 83043df9
  David M. Rogers authored Apr 26, 2021
  
  83043df9
06 Jan, 2021 2 commits
- Merged changes. · 12da438d
  David M. Rogers authored Jan 06, 2021
  
  12da438d
- Update path to launchad. · e4219e45
  David M. Rogers authored Aug 14, 2020
  
  e4219e45
12 Nov, 2020 1 commit
- Added copyright notice. · 916ded6f
  David M. Rogers authored Nov 12, 2020
  
  916ded6f
11 Nov, 2020 1 commit
- Bug fixes and final updates before RDRP docking. · 7177f478
  David M. Rogers authored Nov 11, 2020
  
  7177f478
10 Nov, 2020 2 commits
- Modified package_out to save cluster bests. · 1055499d
  David M. Rogers authored Nov 10, 2020
  
  1055499d
- more doc. updates · dae026f5
  David M. Rogers authored Nov 10, 2020
  
  dae026f5
09 Nov, 2020 1 commit
- Improved documentation. · e5e951f1
  David M. Rogers authored Nov 09, 2020
  
  e5e951f1
08 Nov, 2020 1 commit
- refactoring for modularity · 46f5b5e4
  David M. Rogers authored Nov 07, 2020
  
  46f5b5e4
07 Nov, 2020 1 commit
- Added alternate run modes. · 0842e46a
  David M. Rogers authored Nov 07, 2020
  
  0842e46a
08 Oct, 2020 1 commit
- Mark rescored outputs with batch. · 81b842ab
  David M. Rogers authored Oct 08, 2020
  
  81b842ab
12 Sep, 2020 1 commit
- Rescoring setup near complete. · e03974f1
  David M. Rogers authored Sep 12, 2020
  
  e03974f1
11 Sep, 2020 1 commit
- Multiprocessing rescoring module. · 3c13feec
  David M. Rogers authored Sep 11, 2020
  
  3c13feec
09 Sep, 2020 1 commit
- Updates for large array with slurm. · 5f593c56
  David M. Rogers authored Sep 09, 2020
  
  5f593c56
29 Aug, 2020 1 commit
- Final updates for scale test. · c0f8e598
  David M. Rogers authored Aug 29, 2020
  
  c0f8e598
25 Aug, 2020 1 commit
- Bugfixes. · c5e37c4a
  David M. Rogers authored Aug 25, 2020
  
  c5e37c4a
24 Aug, 2020 2 commits
- Updates during testing. · 416b9e6c
  David M. Rogers authored Aug 24, 2020
  
  416b9e6c
- Added breakup script. · 30f24e1a
  David M. Rogers authored Aug 17, 2020
  
  30f24e1a
14 Aug, 2020 2 commits
- Refactored Jens' rescoring and added. · db86fb65
  David M. Rogers authored Aug 14, 2020
  
  db86fb65
- Part-way to GCP implementation. · e4704b17
  David M. Rogers authored Aug 14, 2020
  
  e4704b17
19 Jun, 2020 1 commit
- Version used for gigadock. · 91f9dc30
  David M. Rogers authored Jun 17, 2020
  
  91f9dc30
17 Jun, 2020 1 commit
- Changed to 6WQF structure. · 1ca85933
  David M. Rogers authored Jun 17, 2020
  
  1ca85933
16 Jun, 2020 1 commit
- Updates for v1.0 · 0084bae8
  David M. Rogers authored Jun 16, 2020
  
  0084bae8
11 Jun, 2020 3 commits
- Changes for v0.6 - hopper. · a644feaa
  David M. Rogers authored Jun 11, 2020
  
  a644feaa
- Fix stupid python bug. · 32e1102a
  David M. Rogers authored Jun 10, 2020
  
  32e1102a
- Added timestamps to logs and set to run 2 ds ea. · 6cfbbb89
  David M. Rogers authored Jun 10, 2020
  
  6cfbbb89
10 Jun, 2020 5 commits
- Fixes for next trial. · d239f1b3
  David M. Rogers authored Jun 10, 2020
  
  d239f1b3
- Actual test scripts used for job 148827. · 7eaa8bc5
  David M. Rogers authored Jun 10, 2020
  
  7eaa8bc5
- Ready to test docking steps. · 4125d09c
  David M. Rogers authored Jun 10, 2020
  
  4125d09c
- Bugfixes. Scaling test works, must re-run docking test. · 57f1e9a6
  David M. Rogers authored Jun 10, 2020
  
  57f1e9a6
- Jun 10 midnight test. · e775f660
  David M. Rogers authored Jun 10, 2020
  
  e775f660