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practical_cheminformatics_tutorials
practical_cheminformatics_tutorials PublicForked from PatWalters/practical_cheminformatics_tutorials
Practical Cheminformatics Tutorials
Jupyter Notebook 1
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AntioxidantActivity
AntioxidantActivity PublicForked from EdoardoVigano/AntioxidantActivity
Antioxidant Activity predction IC50
Python 1
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Curriculum-Learning-for-Retrosynthesis
Curriculum-Learning-for-Retrosynthesis PublicForked from PEESEgroup/Curriculum-Learning-for-Retrosynthesis
Implementation of curriculum learning framework for retrosynthesis prediction using transformer models with difficulty-aware pacing strategies.
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overlapping_assays
overlapping_assays PublicForked from rinikerlab/overlapping_assays
Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".
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Conflictual-Loss
Conflictual-Loss PublicForked from fellajimed/Conflictual-Loss
Official implementation of paper: "On the Calibration of Epistemic Uncertainty: Principles, Paradoxes and Conflictual Loss"
Python 1
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