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Found 5 papers, 1 papers with code
Pre-Training on Large-Scale Generated Docking Conformations with HelixDock to Unlock the Potential of Protein-ligand Structure Prediction Models
In this work, we show that by pre-training a geometry-aware SE(3)-Equivariant neural network on a large-scale docking conformation generated by traditional physics-based docking tools and then fine-tuning with a limited set of experimentally validated receptor-ligand complexes, we can achieve outstanding performance.
PASH at TREC 2021 Deep Learning Track: Generative Enhanced Model for Multi-stage Ranking
This paper describes the PASH participation in TREC 2021 Deep Learning Track.
CandidateDrug4Cancer: An Open Molecular Graph Learning Benchmark on Drug Discovery for Cancer
Anti-cancer drug discoveries have been serendipitous, we sought to present the Open Molecular Graph Learning Benchmark, named CandidateDrug4Cancer, a challenging and realistic benchmark dataset to facilitate scalable, robust, and reproducible graph machine learning research for anti-cancer drug discovery.
Docking-based Virtual Screening with Multi-Task Learning
Machine learning shows great potential in virtual screening for drug discovery.
Winner Team Mia at TextVQA Challenge 2021: Vision-and-Language Representation Learning with Pre-trained Sequence-to-Sequence Model
TextVQA requires models to read and reason about text in images to answer questions about them.
