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Updating floating point precision for OC22/total_energy predictions and enabling OC22 challenge submission file generation #421
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…/ocp into predict_fp merging updated make_submission_file.py to include OC22
…nto predict_fp merging ocp main updates
Tested |
…/ocp into predict_fp Merging minor fix commit
Codecov Report
@@ Coverage Diff @@
## main #421 +/- ##
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- Coverage 45.22% 45.21% -0.02%
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Files 88 88
Lines 8278 8281 +3
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Hits 3744 3744
- Misses 4534 4537 +3
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A few updates:
@abhshkdz @mshuaibii Take another look and let me know if I missed anything. |
…nto predict_fp merge updated main
…nto predict_fp merging in updates to main
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LGTM - thanks!
…redictions (#421) * write tot_e predicts in float32 * adding total_energy=True to base OC22 configs * assert oc22 predictions are fp32 * update to method for writing predictions to keep track of precision * submission file to support oc22 * move energy values to cpu before writing predicts and updated make_submission script * minor fix * minor fix * update to include prediction_dtype flag and remove check in make_submission_file.py * added documentation for the prediction_type flag and oc22 evalai * updated oc22 docs in TRAIN.md and minor changes to make_submission_file.py * add joint training documentation Co-authored-by: Muhammed Shuaibi <mshuaibi@andrew.cmu.edu> Co-authored-by: Muhammed Shuaibi <45150244+mshuaibii@users.noreply.github.com> Co-authored-by: Abhishek Das <das.abhshk@gmail.com>
This PR does the following:
make_submission_file.py
script was updated to include OC22 challenge submissionsmake_submission_file.py
script ensuring OC22 submission are written in >= float32, this was added because if thetotal_energy=True
flag is not set in the dataset config for an OC22 S2EF model the model will train but predictions will be written in float16 the OC20 defaulttotal_energy=True
I tested OC22 predictions written in both float32 and float16, and the updates work as expected.