Commit Graph

1164 Commits

Author SHA1 Message Date
Jasper Butcher
f135630997 Add 'extra' key to example specifications 2025-12-07 20:57:42 -08:00
Lorenzo Tarricone
7f8f9f0ead Import apply_symmetry_to_xyz_atomwise function
apply_symmetry_to_xyz_atomwise function used in line 361 (new 362) when generating symmetric protein, but not imported
2025-12-06 16:26:41 +00:00
jbutch
8aeacba747 Fix: Exact python versioning 2025-12-05 14:56:17 -08:00
jbutch
73d43c50e1 Fix import error for cfg 2025-12-05 14:51:37 -08:00
jbutch
0fb924882a Update pyproject.toml v0.1.7 2025-12-05 12:05:45 -08:00
jbutch
946b724abb Merge branch 'feat/multiple-checkpoint-directories' into production 2025-12-04 21:38:20 -08:00
jbutch
2895eb0069 Shorten .env 2025-12-04 21:36:56 -08:00
Jasper Butcher
569b0d5635 Merge pull request #58 from RosettaCommons/feat/multiple-checkpoint-directories
Add multiple checkpoint directories optioning
2025-12-04 21:34:27 -08:00
Jasper Butcher
0a8348f42a Update src/foundry_cli/download_checkpoints.py
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
2025-12-04 21:31:22 -08:00
Jasper Butcher
b66aa4324a Update src/foundry/inference_engines/checkpoint_registry.py
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
2025-12-04 21:26:02 -08:00
jbutch
5c766cdde8 Add backward compatibility 2025-12-04 21:23:40 -08:00
jbutch
0404d6ae9e Rewind .env 2025-12-04 21:10:03 -08:00
jbutch
3313cdfa47 Add multiple checkpoint directories optioning and rename env var 2025-12-04 21:06:10 -08:00
Jasper Butcher
798fd9c405 Merge pull request #56 from RosettaCommons/fix/install-cmds
Fix installation issues
2025-12-04 20:04:45 -08:00
jbutch
4fcafb3862 Mv .env 2025-12-04 20:02:12 -08:00
Jasper Butcher
857e3d4fdc Update src/foundry_cli/download_checkpoints.py
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
2025-12-04 20:01:00 -08:00
Jasper Butcher
9d5c4f193d Update .env
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
2025-12-04 19:59:46 -08:00
jbutch
8988b1ef77 Make format 2025-12-04 19:56:10 -08:00
jbutch
273e2dd4fe Update input.md 2025-12-04 19:50:04 -08:00
jbutch
da6310d78c Minor fixes 2025-12-04 19:35:31 -08:00
jbutch
bd553d28aa Minor fixes 2025-12-04 19:34:17 -08:00
jbutch
e80d9608f1 Fix installation v2 2025-12-04 19:29:37 -08:00
jbutch
a9196592ca Fix installation 2025-12-04 19:25:17 -08:00
Jasper Butcher
fd24d7268b Merge pull request #54 from RosettaCommons/fix/readmes
Fixes: Turn off prevalidation by default, update README with new files
2025-12-04 18:57:40 -08:00
jbutch
76f28cfdc4 Fix: linting check 2025-12-04 18:56:19 -08:00
Jasper Butcher
22c2a63241 Update models/rfd3/docs/input.md
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
2025-12-04 18:53:54 -08:00
Jasper Butcher
4ac2a9b7de Update models/rfd3/README.md
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
2025-12-04 18:53:42 -08:00
Jasper Butcher
c4a8dffed0 Update models/rfd3/README.md
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
2025-12-04 18:53:33 -08:00
Jasper Butcher
8c36d6f78d Update models/rfd3/README.md
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
2025-12-04 18:53:23 -08:00
Jasper Butcher
f0379581b4 Update models/rfd3/docs/input.md
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
2025-12-04 18:52:34 -08:00
jbutch
a14f763a6e Fix: linting check 2025-12-04 18:51:06 -08:00
jbutch
a5ff3fa976 Minor changes 2025-12-04 18:45:50 -08:00
jbutch
45e8a47a06 Add fles 2025-12-04 18:40:01 -08:00
jbutch
dfdf28b102 Add files, update input.md 2025-12-04 18:31:47 -08:00
jbutch
f8fe01e96c Turn off prevalidation by default 2025-12-04 17:45:19 -08:00
Jasper Butcher
e0d502e0d9 Merge pull request #53 from RosettaCommons/format/make-format
Make format
2025-12-04 17:34:32 -08:00
jbutch
12942c2098 Make format 2025-12-04 17:33:55 -08:00
jbutch
05807eb849 Make format 2025-12-04 17:18:23 -08:00
Jasper Butcher
0d72b922d6 Merge pull request #52 from RosettaCommons/fix/alignment
Fix: task logging, no ckpt path at cli
2025-12-04 17:12:25 -08:00
Jasper Butcher
38b03fae00 Update .env
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
2025-12-04 17:12:15 -08:00
Jasper Butcher
f783862501 Update src/foundry/utils/alignment.py
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
2025-12-04 17:12:08 -08:00
jbutch
5c60a1f9ae Minor fixes 2025-12-04 17:10:03 -08:00
Jasper Butcher
8919e1d703 Merge pull request #51 from RosettaCommons/fix/update_filename_for_training_rfd3
Update interface parquet file name for training rfd3
2025-12-04 16:59:23 -08:00
Jasper Butcher
c8e1b3dd32 Merge pull request #48 from RosettaCommons/fix/typo_in_pdb_name
Changed rfd3 example input_pdb filename from 4zxb_croppped.pdb to 4zxb_cropped.pdb
2025-12-04 16:58:47 -08:00
jbutch
b72ada05ff Fix: task logging, no ckpt path at cli, make format 2025-12-04 16:53:09 -08:00
Hope Woods
f39fa7d726 Update parquet file name for training rfd3 2025-12-04 16:37:44 -05:00
Aiko
0c1fb38d97 Merge pull request #42 from RosettaCommons/rfd3-sym-hotfix
fix: some bugs in legacy parsing and symmetry
2025-12-04 13:12:19 -08:00
Aiko
d34ea4d266 Merge pull request #39 from RosettaCommons/rfd3-sym-readme
feat: symmetry.md updated
2025-12-04 13:12:03 -08:00
Rachel Clune
5be99fc7d6 Fix typo in hbplus installation instructions 2025-12-04 12:14:36 -08:00
Hope Woods
b376933dd7 Changed input_pdb filename from 4zxb_croppped.pdb to 4zxb_cropped.pdb 2025-12-04 10:57:52 -05:00