160 citations · 659 across the 33 of their papers we have counts for
7 papers · 1 filter
Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials
Shengchao Liu, Weitao Du, Yanjing Li +10
Artificial intelligence for scientific discovery has recently generated significant interest within the machine learning and scientific communities, particularly in the domains of…
ChatGPT-powered Conversational Drug Editing Using Retrieval and Domain Feedback
Shengchao Liu, Jiongxiao Wang, Yijin Yang +4
Recent advancements in conversational large language models (LLMs), such as ChatGPT, have demonstrated remarkable promise in various domains, including drug discovery. However, exi…
A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining
Shengchao Liu, Weitao Du, Zhiming Ma +2
Molecule pretraining has quickly become the go-to schema to boost the performance of AI-based drug discovery. Naturally, molecules can be represented as 2D topological graphs or 3D…
GraphVF: Controllable Protein-Specific 3D Molecule Generation with Variational Flow
Fang Sun, Zhihao Zhan, Hongyu Guo +2
Designing molecules that bind to specific target proteins is a fundamental task in drug discovery. Recent models leverage geometric constraints to generate ligand molecules that bi…
Wheat Head Counting by Estimating a Density Map with Convolutional Neural Networks
Hongyu Guo
Wheat is one of the most significant crop species with an annual worldwide grain production of 700 million tonnes. Assessing the production of wheat spikes can help us measure the…
Effectiveness of Data Augmentation for Parameter Efficient Tuning with Limited Data
Stephen Obadinma, Hongyu Guo, Xiaodan Zhu
Recent work has demonstrated that using parameter efficient tuning techniques such as prefix tuning (or P-tuning) on pretrained language models can yield performance that is compar…
A Text-guided Protein Design Framework
Shengchao Liu, Yanjing Li, Zhuoxinran Li +10
Current AI-assisted protein design mainly utilizes protein sequential and structural information. Meanwhile, there exists tremendous knowledge curated by humans in the text format…