1 code implementation • 14 Feb 2024 • Botao Yu, Frazier N. Baker, Ziqi Chen, Xia Ning, Huan Sun
Using SMolInstruct, we fine-tune a set of open-source LLMs, among which, we find that Mistral serves as the best base model for chemistry tasks.
no code implementations • 13 Nov 2023 • Bo Peng, Ziqi Chen, Srinivasan Parthasarathy, Xia Ning
As widely demonstrated in the literature, this issue could lead to a loss of information in individual items, and significantly degrade models' scalability and performance.
no code implementations • 2 Oct 2023 • Bo Peng, Ben Burns, Ziqi Chen, Srinivasan Parthasarathy, Xia Ning
In addition, SSNA adapts the top-a layers of LLMs jointly, and integrates adapters sequentially for enhanced effectiveness (i. e., recommendation performance).
1 code implementation • 6 Sep 2023 • Frazier N. Baker, Ziqi Chen, Daniel Adu-Ampratwum, Xia Ning
Retrosynthesis is the process of determining the set of reactant molecules that can react to form a desired product.
no code implementations • 23 Aug 2023 • Ziqi Chen, Bo Peng, Srinivasan Parthasarathy, Xia Ning
Ligand-based drug design aims to identify novel drug candidates of similar shapes with known active molecules.
1 code implementation • 9 Apr 2023 • Shuai Li, Ziqi Chen, Hongtu Zhu, Christina Dan Wang, Wang Wen
The CRT assumes that the conditional distribution of X given Z is known under the null hypothesis and then it is compared to the distribution of the observed samples of the original data.
no code implementations • 2 Mar 2023 • Ziqi Chen, Martin Renqiang Min, Hongyu Guo, Chao Cheng, Trevor Clancy, Xia Ning
This process is known as TCR recognition and constitutes a key step for immune response.
1 code implementation • 10 Jun 2022 • Ziqi Chen, Oluwatosin R. Ayinde, James R. Fuchs, Huan Sun, Xia Ning
It first predicts the reaction centers in the target molecules (products), identifies the synthons needed to assemble the products, and transforms these synthons into reactants.
1 code implementation • 11 Mar 2022 • Yuchen Dang, Ziqi Chen, Heng Li, Hai Shu
An open-source Python package of our XGBoost-DL for the sunspot number prediction is available at https://github. com/yd1008/ts_ensemble_sunspot.
no code implementations • 8 Mar 2021 • Tian Meng, Yang Tao, Ziqi Chen, Jorge R. Salas Avila, Qiaoye Ran, Yuchun Shao, Ruochen Huang, Yuedong Xie, Qian Zhao, Zhijie Zhang, Hujun Yin, Anthony J. Peyton, Wuliang Yin
Eddy current testing (ECT) is an effective technique in the evaluation of the depth of metal surface defects.
2 code implementations • 8 Dec 2020 • Ziqi Chen, Martin Renqiang Min, Srinivasan Parthasarathy, Xia Ning
A pipeline of multiple, identical Modof models is implemented into Modof-pipe to modify an input molecule at multiple disconnection sites.
1 code implementation • 4 Dec 2020 • Ziqi Chen, Martin Renqiang Min, Xia Ning
T-cell receptors can recognize foreign peptides bound to major histocompatibility complex (MHC) class-I proteins, and thus trigger the adaptive immune response.
no code implementations • 12 Aug 2020 • Yonghyun Nam, Jae-Seung Yun, Seung Mi Lee, Ji Won Park, Ziqi Chen, Brian Lee, Anurag Verma, Xia Ning, Li Shen, Dokyoon Kim
To reduce trial and error in finding treatments for COVID-19, we propose building a network-based drug repurposing framework to prioritize repurposable drugs.
1 code implementation • 5 Jun 2020 • Hai Shu, Ronghua Shi, Qiran Jia, Hongtu Zhu, Ziqi Chen
Deep neural networks (DNNs) have achieved great success in image classification, but can be very vulnerable to adversarial attacks with small perturbations to images.