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Pull requests: choderalab/modelforge

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Pull requests list

match original neural network hyperparameters
#119 opened May 13, 2024 by wiederm Loading…
1 task done
Addressing overuse of fixtures
#118 opened May 11, 2024 by wiederm Loading…
3 tasks done
1
2
yaml files to define dataset download links/checksums.
#117 opened May 10, 2024 by chrisiacovella Loading…
1 task
Implementing TensorNet in modelforge
enhancement New feature or request
#116 opened May 9, 2024 by wiederm • Draft
3 tasks
@MarshallYan
Check that for hydrogen atoms that are chemically and physically equivalent the atomic energies are the same
#114 opened May 9, 2024 by wiederm Loading…
1 task done
@wiederm
3
Uncertainty aware models
#66 opened Feb 7, 2024 by yuanqing-wang Loading…
3 of 4 tasks
6
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