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08/11/2022
GEM-2: Next Generation Molecular Property Prediction Network with Many-body and Full-range Interaction Modeling
Molecular property prediction is a fundamental task in the drug and mate...
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07/28/2022
HelixFold-Single: MSA-free Protein Structure Prediction by Using Protein Language Model as an Alternative
AI-based protein structure prediction pipelines, such as AlphaFold2, hav...
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05/17/2022
HelixADMET: a robust and endpoint extensible ADMET system incorporating self-supervised knowledge transfer
Accurate ADMET (an abbreviation for "absorption, distribution, metabolis...
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06/28/2021
LiteGEM: Lite Geometry Enhanced Molecular Representation Learning for Quantum Property Prediction
In this report, we (SuperHelix team) present our solution to KDD Cup 202...
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06/11/2021
ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction
Effective molecular representation learning is of great importance to fa...
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11/06/2019
MBCAL: A Simple and Efficient Reinforcement Learning Method for Recommendation Systems
It has been widely regarded that only considering the immediate user fee...
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02/01/2019
Sequential Evaluation and Generation Framework for Combinatorial Recommender System
Typical recommender systems push K items at once in the result page in t...
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02/09/2018