mathcom/COMA

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Updated about 1 year ago

mathcom/COMA

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COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses

RefDNN

RefDNN: a reference drug based neural network for more accurate prediction of anticancer drug resistance (Scientific Reports)

G2Vec

G2Vec: Distributed gene representations for identification of cancer prognostic genes (Scientific Reports)

CPR

Identification of heterogeneous biomarkers for breast cancer using Clustering and PageRank algorithms (bioinformatics)

MolBit

De novo Drug Design via Binary Representations of SMILES for avoiding the Posterior Collapse Problem (BIBM 2021)

Jupyter Notebook

MTMR

MTMR: Molecule-to-Molecule Translation using Metric Learning and Reinforcement Learning (under review)

Jupyter Notebook

ReBADD-SE

ReBADD-SE: Multi-objective molecular optimisation using SELFIES fragment and off-policy self-critical sequence training

Jupyter Notebook