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Commits on Sep 17, 2021
- update deps
  kleinhenz
  committed
  5049c1a
Commits on Sep 29, 2020
- change install link from ssh to https
  kleinhenz
  committed
  d489ec4
Commits on Sep 28, 2020
- update requirements.txt
  kleinhenz
  committed
  1ff33ba
- add help to run_psifold cmdline parameters
  kleinhenz
  committed
  a3f9958
- add help to run_rgn cmdline parameters
  kleinhenz
  committed
  f072d94
- update README
  kleinhenz
  committed
  54f0ce3
- update installation instructions
  kleinhenz
  committed
  f514e7d
- require pytorch 1.6
  kleinhenz
  committed
  0e1f0b3
Commits on Sep 27, 2020
- update README
  kleinhenz
  committed
  9079537
Commits on Sep 26, 2020
- fix argparse compatibility
  kleinhenz
  committed
  e24223a
- make computing tmscore optional
  kleinhenz
  committed
  045ddfd
Commits on Sep 18, 2020
- update README
  kleinhenz
  committed
  d289775
Commits on Sep 16, 2020
- fix validate call in run_rgn
  kleinhenz
  committed
  7cc2ec7
Commits on Sep 15, 2020
- don't create optimizer etc if not training
  kleinhenz
  committed
  fbf7eb4
- add timeout to tmscore call
  kleinhenz
  committed
  9164da7
Commits on Sep 14, 2020
- fix restoring scheduler from checkpoint
  kleinhenz
  committed
  cb2f7be
- save checkpoints under uuid subdir
  kleinhenz
  committed
  f78556d
Commits on Sep 9, 2020
- psifold updates
  kleinhenz
  committed
  f499a58
Commits on Aug 30, 2020
- add LAMB optimizer and util for lr scheduling
  kleinhenz
  committed
  4c7f7e2
Commits on Aug 9, 2020
- enable gradient accumulation over multiple batches
  kleinhenz
  committed
  db87ca3
- change default max_len to 512
  kleinhenz
  committed
  694e20f
Commits on Aug 8, 2020
- add default scaling for ff_dim and nhead params
  kleinhenz
  committed
  9736c52
- fix order of bond lengths/angles in rgn model
  kleinhenz
  committed
  a1bde4f
Commits on Aug 7, 2020
- predict angles directly instead of dividing by vector norm
  kleinhenz
  committed
  2b03e31
- adjust loss to be >= 0.0
  kleinhenz
  committed
  e5bbaa6
- make radius settable in constructor
  kleinhenz
  committed
  40095c5
- don't mask first srf coord
  kleinhenz
  committed
  4edc496
Commits on Aug 6, 2020
- add support for learning rate scheduler
  kleinhenz
  committed
  59d867f
Commits on Aug 4, 2020
- don't train the radius
  kleinhenz
  committed
  ce593d8
- test cos similarity loss
  kleinhenz
  committed
  a4a3134
Commits on Aug 2, 2020
- fix restore_from_checkpoint
  kleinhenz
  committed
  529ebaf
- fix printing of tmscore quantiles
  kleinhenz
  committed
  0dfe8c9
- update README
  kleinhenz
  committed
  c9545f5
- fix baseline + unify psifold scripts
  kleinhenz
  committed
  6115f1c
- save arguments in checkpoint
  kleinhenz
  committed
  89b6dad

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Commits on Sep 17, 2021

Commits on Sep 29, 2020

Commits on Sep 28, 2020

Commits on Sep 27, 2020

Commits on Sep 26, 2020

Commits on Sep 18, 2020

Commits on Sep 16, 2020

Commits on Sep 15, 2020

Commits on Sep 14, 2020

Commits on Sep 9, 2020

Commits on Aug 30, 2020

Commits on Aug 9, 2020

Commits on Aug 8, 2020

Commits on Aug 7, 2020

Commits on Aug 6, 2020

Commits on Aug 4, 2020

Commits on Aug 2, 2020