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Luck-talent-or-vision
A simple python reproduction and modification of the 2022 Ig Nobel Prize for Economics "Which Is More Important: Talent or Luck?"mcs_sim
A structural molecular similarity metric based on fast MCS estimationMCdropout-CYP450Classifcation
Use Monte-Carlo dropout to quantify the uncertainty and excludes the uncertain prediction against CYP450 inhibition dataset.ChemSearchDQN
Chemical DQN used for learning real world datasetPeptideTempVAE
Coupling softmax with temperature factor on VAE to design anti-microbial peptides (AMPs).Fingerprint-Passing-nerial-network-FPNN-
Use embedded Morgan Fingerprints to build message passing neural network for molecule property prediction.pBERT-DTI
LocalDiff
A LocalRetro-like DNN for activation energy prediction for AMSG member trainingzai-zai-checker
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