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Add Drug-Target Interaction dataset #100

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Add Drug-Target Interaction dataset #100

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fc19199
initial commit for Drug_target_interaction dataset
Mar 11, 2023
6a9a72e
remove data
Mar 11, 2023
110119f
deleted .DS_store
Mar 13, 2023
cf5d989
update metadata file type field to continuous
Mar 13, 2023
d73a586
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Mar 13, 2023
7f82491
feat: Add uris field for identifiers (#103)
kjappelbaum Mar 13, 2023
446aab5
docs: add submodule advice (#105)
jackapbutler Mar 14, 2023
c84af9a
feat: add initial env script
jackapbutler Mar 14, 2023
4e9fe2c
feat: separate install scripts
jackapbutler Mar 14, 2023
214d7e2
fix: add branch for main when cloning
jackapbutler Mar 14, 2023
5539700
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Mar 14, 2023
4bd28ea
Merge pull request #106 from jackapbutler/update-submodule-branch
maw501 Mar 14, 2023
c9d46a8
docs: add cluster readme for script
jackapbutler Mar 14, 2023
57f0c1c
fix: update paths used in env script
jackapbutler Mar 14, 2023
9bf00d0
fix: add graceful fail to env creation
jackapbutler Mar 14, 2023
7aa8232
chore: rename linux to stability
jackapbutler Mar 14, 2023
af51931
Revert "feat: Add uris field for identifiers (#103)"
MicPie Mar 14, 2023
e0670a2
feat: Add uris field for identifiers (#103)
kjappelbaum Mar 13, 2023
373446d
fix: force env creation (for each experiment)
jackapbutler Mar 14, 2023
096a4de
make env creation user-specific
jackapbutler Mar 14, 2023
f322194
feat: add ability to run same script from slurm
jackapbutler Mar 15, 2023
e9c615c
feat: add pos arg for env dir
jackapbutler Mar 15, 2023
69a178f
fix: remove duplicate lines
jackapbutler Mar 15, 2023
e6e6eab
docs: update readme with additional info
jackapbutler Mar 15, 2023
f94fc69
feat: add second arg instead of username
jackapbutler Mar 15, 2023
377875c
docs: update docs
jackapbutler Mar 15, 2023
e18db75
Merge pull request #107 from jackapbutler/add-cluster-env-script
maw501 Mar 15, 2023
c4c4dc7
delete bindingdb_kd and data_original
Mar 16, 2023
a3e7261
Merge branch 'Add-Drug-Target-Interaction-dataset' of https://github.…
Mar 16, 2023
c0a1b71
delete bindingdb_kd and data_original
Mar 16, 2023
31a575d
remove .DS_Store
Mar 16, 2023
9776f67
changed type to continous
Mar 16, 2023
e1e82e8
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Mar 16, 2023
57ce6b0
chore: run pre-commit in CI, rework datasets (#98)
kjappelbaum Mar 16, 2023
c17c140
Fix model docstrings (#119)
ml-evs Mar 16, 2023
cef63c8
docs: update dataset & readme docs (#104)
jackapbutler Mar 17, 2023
16337fd
add splits
Mar 19, 2023
7744289
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Mar 19, 2023
ae6c80b
feat: transform.py cleanup to create nice meta.yaml files (#121)
MicPie Mar 21, 2023
e869986
feat: add cluster train script (#112)
jackapbutler Mar 21, 2023
bf304cf
Change url for gpt-neox submodule
Mar 21, 2023
20636c0
Merge pull request #126 from maw501/update-submodule-url
Mar 21, 2023
c30d1c7
fix: flashpoint smiles column name in capital letters. (#125)
MicPie Mar 22, 2023
ff03074
feat: add wandb logging to pipeline configuration (#123)
jackapbutler Mar 23, 2023
b2ae8dc
feat: implement benchmark field 2 (#128)
MicPie Mar 23, 2023
a9af21a
chore: disable pre-commit autocommit (#131)
kjappelbaum Mar 26, 2023
dd78666
docs: update contribution guide to reflect schema changes (#135)
kjappelbaum Mar 28, 2023
583615e
add benchmarks
Mar 28, 2023
6a0cff5
Merge branch 'Add-Drug-Target-Interaction-dataset' of https://github.…
Mar 28, 2023
56dbeb8
remove file
Mar 28, 2023
6a52858
fixed long lines
Mar 28, 2023
db871c6
initial commit for Drug_target_interaction dataset
Mar 11, 2023
aa82bb1
remove data
Mar 11, 2023
1e12aaf
deleted .DS_store
Mar 13, 2023
cc42f17
update metadata file type field to continuous
Mar 13, 2023
ea86935
delete bindingdb_kd and data_original
Mar 16, 2023
b44129b
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Mar 13, 2023
709b39b
delete bindingdb_kd and data_original
Mar 16, 2023
cd327b7
remove .DS_Store
Mar 16, 2023
b44af0f
changed type to continous
Mar 16, 2023
67538c6
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Mar 16, 2023
88e53b3
add splits
Mar 19, 2023
70bd09a
add benchmarks
Mar 28, 2023
6a402ff
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Mar 19, 2023
0505126
remove file
Mar 28, 2023
7383290
fixed long lines
Mar 28, 2023
f9c2d4d
Merge branch 'Add-Drug-Target-Interaction-dataset' of github.com:stru…
MicPie Mar 28, 2023
f74f337
feat: cleanup transform.py and meta.yaml
MicPie Mar 28, 2023
759a7dd
feat: change dir name to lowercase
MicPie Mar 28, 2023
85f6512
feat: cleanup identifiers
MicPie Mar 28, 2023
723337f
feat: target type to continuous
MicPie Mar 28, 2023
3af8ae9
feat: target type to continuous also in meta.yaml
MicPie Mar 28, 2023
dcbfb53
feat: rerun pre-commit on meta.yaml
MicPie Mar 28, 2023
17d015c
feat: add name field for other targets
MicPie Mar 28, 2023
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