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ATOMScience-org
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AMPL
The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
MIT License
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Add codecov settings
#372
Kartstig
opened
4 hours ago
0
Ensure modac tests are run
#371
Kartstig
closed
1 week ago
0
updated the docker build conditions. updated docs.
#370
mauvais2
closed
2 weeks ago
0
Remove download delaney
#369
stewarthe6
closed
2 weeks ago
0
pushed a saved version
#368
mauvais2
closed
2 weeks ago
0
use tensorflow for arm chip requirements
#367
mauvais2
closed
2 weeks ago
0
Update build ci
#366
mauvais2
closed
2 weeks ago
0
Makefile updates
#365
Kartstig
closed
2 weeks ago
0
1.6.3
#364
mauvais2
closed
3 weeks ago
0
1.6.3 prep
#363
mauvais2
closed
3 weeks ago
0
Only add gpus if platform is set
#362
Kartstig
closed
4 weeks ago
0
Add MODAC API Client + Example Docs
#361
Kartstig
closed
1 month ago
1
Akp lint fixes
#360
paulsonak
closed
1 month ago
0
transition MolVS to rdkit native code
#359
paulsonak
opened
1 month ago
0
Pytest cicd
#358
mauvais2
closed
4 weeks ago
1
Only run integrative tests if unit passes
#357
Kartstig
closed
1 month ago
1
Add MODAC API Client + Example Docs
#356
Kartstig
closed
1 month ago
1
Add dockerfiles. Makefile + CI Build script
#355
Kartstig
closed
4 weeks ago
1
Fixing is_class Determination in featurization.py
#354
rwilfong
closed
1 month ago
0
external_training_data option is broken in predict_from_model_file
#353
mcloughlin2
opened
1 month ago
0
reverted 6bd17e1 kfold_cv commit
#352
mauvais2
closed
1 month ago
0
Misc Linter Finding Fixes
#351
mauvais2
closed
1 month ago
2
updated readme. removed the without access to JCIM sentence
#350
mauvais2
closed
1 month ago
0
Add pytest CI (Github Actions)
#349
Kartstig
closed
1 month ago
2
Correcting code after using Ruff linter
#348
stewarthe6
closed
4 weeks ago
4
1.6.2
#347
mauvais2
closed
1 month ago
0
Merging Reproducibility and Sampling Features
#346
rwilfong
closed
1 month ago
0
rearranged the announcements in readme
#345
mauvais2
closed
1 month ago
1
Adding seed for reproducibility and sampling methods
#344
rwilfong
opened
1 month ago
1
Handle the case when split subsets is empty
#343
mauvais2
closed
4 weeks ago
1
Rdkit upgrade
#342
mauvais2
closed
1 month ago
2
Need a better way to control log message verbosity than 'verbose' parameters
#341
mcloughlin2
opened
2 months ago
0
Integrate gpytorch wrapper
#340
andrewkallai
closed
1 month ago
1
update plot_pred_vs_actual_from_file to have an uncertainty flag inst…
#339
paulsonak
closed
1 month ago
4
Merge pull request #337 from ATOMScience-org/mchip_readme
#338
paulsonak
closed
2 months ago
0
update M chip instructions
#337
paulsonak
closed
2 months ago
0
updated test class calling pfm
#336
mauvais2
closed
2 months ago
0
Adds ruff linter + GitHub Actions CI + Fixes all lint errors
#335
Kartstig
closed
1 month ago
1
Update README.md
#334
jadenC20
closed
2 months ago
1
Update README.md
#333
theclosedbook
closed
2 months ago
1
plot_pred_vs_actual not working for multitask models
#332
rwilfong
closed
1 month ago
2
Changes to control model sparsity and MTSS improvements
#331
mcloughlin2
opened
2 months ago
1
Check for ECFP collisions
#330
stewarthe6
closed
2 weeks ago
3
removed debug from test
#329
mauvais2
closed
2 months ago
0
fixed tutorial nb links
#328
mauvais2
closed
2 months ago
0
1.6.1
#327
mauvais2
closed
3 months ago
0
1.6.1
#326
mauvais2
closed
3 months ago
0
Tutorials rst
#325
mauvais2
closed
3 months ago
0
Tutorial7 akp 161
#324
paulsonak
closed
3 months ago
0
incorporated changes from confluence
#323
rwilfong
closed
3 months ago
0
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