CS PhD Candidate @ Vanderbilt University

Yunchao (Lance) Liu (刘运超)

Short Bio

Yunchao, nicknamed Lance, is currently a PhD candidate in the Meiler lab and NDS lab where he is advised by Dr. Jens Meiler, Dr. Tyler Derr, and Dr. Bobby Bodenheimer. His research aims at developing novel state-of-the-art deep learning models that are specifically designed for small molecule drug discovery applications.

Curriculum Vitae

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Research Interests

Geometric Deep Learning
Self-Supervised Learning
Molecular Representation Learning
Computer-Aided Drug Discovery

News

9/2023: Invited to serve as the PC memberfor MLoG@ICDM'23

8/2023: Invited to serve as a reviewer for GenBio@NeurIPS'23

8/2023: Invited to serve as the PC memberfor GTA3@BigData'23

8/2023: Invited to serve as a reviewer for AI4Science@NeurIPS'23

7/2023: Volunteering for AI4D3@NeurIPS'23

7/2023: Served as a reviewer for ACM Transactions on Knowledge Discovery from Data (TKDD) journal

6/2023: First-authored paper Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling is published at AAAI'23

6/2023: Invited to speak at Max-Planck Institue for Mathematics in the Sciences

6/2023: Invited to serve as a reviewer for SPIGM@ICML'23

5/2023: Attended Merck Datathon

4/2023: First-authored paper Integrating Expert Knowledge with Deep Learning Improves QSAR Models for CADD Modelingis on BioRxiv!

3/2023: Gave an invited talk at Molecular Modeling & Drug Discovery (M2D2)

2/2023: Invited to serve as a sub-reviewer for KDD'23

2/2023: Invited to serve as a reviewer for ICML'23

2/2023: Invited to serve as a reviewer for Big Data Research journel

2/2023: Gave an invited talk at the AAAI'23

2/2023: Presented a poster at the AAAI'23

2/2023: Served as session chair and volunteer at the AAAI'23

2/2023: Served as the judge for the VEX Robotics Competition at the White House High School

1/2023: Invited to serve as a publicity chair for MLoG@WSDM'23

1/2023: Invited to serve as a PC member for MLoG@WSDM'23

12/2022: Accepted to the AAAI'23 student scholarship and volunteer program and awarded travel scholarship funding

12/2022: Presented a poster at LoG'22

11/2022: First-authored paper Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling is accepted at AAAI'23

11/2022: First-authored extended abstract Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling is accepted at LoG'22

11/2022: Invited to serve as a sub-reviewer for SDM'23

10/2022: Invited to serve as a PC member for GTA3@BigData'22

10/2022: Invited to serve as a reviewer for AI4Science@NeurIPS'22

9/2022: Invited to serve as a PC member for MLoG@ICDM'22

9/2022: Invited to serve as a reviewer for Big Data Research journel

9/2022: Invited to serve as a meta-reviewer for AAAI'23

9/2022: Invited to serve as a reviewer for WSDM'23

8/2022: Our work MolKGNN is available online! See bioRxiv and blog versions

8/2022: Presented a poster at the Summer RosettaCon2022

7/2022: Served as a volunteer for AI4Science@ICML'22

6/2022: Received reviewer award of AI4Science@ICML'22

6/2022: Invited to serve as a sub-reviewer for NeurIPS'22