Shufang Xie

TamGen: drug design with target-aware molecule generation through a chemical language model

Kehan Wu, Yingce Xia, Pan Deng, Renhe Liu, Yuan Zhang, Han Guo, Yumeng Cui, Qizhi Pei, Lijun Wu, Shufang Xie, Si Chen, Xi Lu, Song Hu, Jinzhi Wu, C. Chan, Shawn Chen, Liangliang Zhou, Nenghai Yu, Enhong Chen, Haiguang Liu, Jinjiang Guo, Tao Qin, Tie-Yan Liu

Nature Communications | October 2024, Vol 15

DOI Publication

Target-aware Molecule Generation for Drug Design Using a Chemical Language Model

Yingce Xia, Kehan Wu, Pan Deng, Renhe Liu, Yuan Zhang, Han Guo, Yumeng Cui, Qizhi Pei, Lijun Wu, Shufang Xie, Si Chen, Xi Lu, Song Hu, Jinzhi Wu, Chi-Kin Chan, Shuo Chen, Liangliang Zhou, Nenghai Yu, Haiguang Liu, Jinjiang Guo, Tao Qin, Tie-Yan Liu

January 2024

Publication Video

Re-evaluating Retrosynthesis Algorithms with Syntheseus

Krzysztof Maziarz, Austin Tripp, Guoqing Liu, Megan Stanley, Shufang Xie, Piotr Gaiński, Philipp Seidl, Marwin Segler

Faraday Discussions | October 2023

DOI Publication Publication

What are the Desired Characteristics of Calibration Sets? Identifying Correlates on Long Form Scientific Summarization

Griffin Adams, Bichlien Nguyen, Jake Smith, Yingce Xia, Shufang Xie, Anna Ostropolets, Budhaditya Deb, Yuan-Jyue Chen, Tristan Naumann, Noémie Elhadad

ACL 2023 | July 2023

Publication

Retrosynthetic Planning with Dual Value Networks

Guoqing Liu, Di Xue, Shufang Xie, Yingce Xia, Austin Tripp, Krzysztof Maziarz, Marwin Segler, Tao Qin, Zongzhang Zhang, Tie-Yan Liu

ICML 2023 | June 2023

Publication

Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design

Kehan Wu, Yingce Xia, Yang Fan, Pan Deng, Haiguang Liu, Lijun Wu, Shufang Xie, Tong Wang, Tao Qin, Tie-Yan Liu

August 2022

Preprint

Building Multilingual Machine Translation Systems That Serve Arbitrary X-Y Translations

Akiko Eriguchi, Shufang Xie, Tao Qin, Hany Hassan Awadalla

NAACL 2022 (The 2022 Conference of the North American Chapter of the Association for Computational Linguistics: Human Language Technologies) | July 2022

Publication PDF Project

Target-Side Input Augmentation for Sequence to Sequence Generation

Shufang Xie, Ang Lv, Yingce Xia, Lijun Wu, Tao Qin, Tie-Yan Liu, Rui Yan

ICLR 2022 | April 2022

Publication

Temporally Correlated Task Scheduling for Sequence Learning

Xueqing Wu, Lewen Wang, Yingce Xia, Weiqing Liu, Lijun Wu, Shufang Xie, Tao Qin, Tie-Yan Liu

2021 International Conference on Machine Learning | July 2021

Publication Project

TamGen: drug design with target-aware molecule generation through a chemical language model

Kehan Wu, Yingce Xia, Pan Deng, Renhe Liu, Yuan Zhang, Han Guo, Yumeng Cui, Qizhi Pei, Lijun Wu, Shufang Xie, Si Chen, Xi Lu, Song Hu, Jinzhi Wu, C. Chan, Shawn Chen, Liangliang Zhou, Nenghai Yu, Enhong Chen, Haiguang Liu, Jinjiang Guo, Tao Qin, Tie-Yan Liu

Nature Communications | October 2024, Vol 15

DOI Publication

Re-evaluating Retrosynthesis Algorithms with Syntheseus

Krzysztof Maziarz, Austin Tripp, Guoqing Liu, Megan Stanley, Shufang Xie, Piotr Gaiński, Philipp Seidl, Marwin Segler

Faraday Discussions | October 2023

DOI Publication Publication

Retrosynthetic Planning with Dual Value Networks

Guoqing Liu, Di Xue, Shufang Xie, Yingce Xia, Austin Tripp, Krzysztof Maziarz, Marwin Segler, Tao Qin, Zongzhang Zhang, Tie-Yan Liu

ICML 2023 | June 2023

Publication

Building Multilingual Machine Translation Systems That Serve Arbitrary X-Y Translations

Akiko Eriguchi, Shufang Xie, Tao Qin, Hany Hassan Awadalla

NAACL 2022 (The 2022 Conference of the North American Chapter of the Association for Computational Linguistics: Human Language Technologies) | July 2022

Publication PDF Project

Target-Side Input Augmentation for Sequence to Sequence Generation

Shufang Xie, Ang Lv, Yingce Xia, Lijun Wu, Tao Qin, Tie-Yan Liu, Rui Yan

ICLR 2022 | April 2022

Publication

Temporally Correlated Task Scheduling for Sequence Learning

Xueqing Wu, Lewen Wang, Yingce Xia, Weiqing Liu, Lijun Wu, Shufang Xie, Tao Qin, Tie-Yan Liu

2021 International Conference on Machine Learning | July 2021

Publication Project

Target-aware Molecule Generation for Drug Design Using a Chemical Language Model

Yingce Xia, Kehan Wu, Pan Deng, Renhe Liu, Yuan Zhang, Han Guo, Yumeng Cui, Qizhi Pei, Lijun Wu, Shufang Xie, Si Chen, Xi Lu, Song Hu, Jinzhi Wu, Chi-Kin Chan, Shuo Chen, Liangliang Zhou, Nenghai Yu, Haiguang Liu, Jinjiang Guo, Tao Qin, Tie-Yan Liu

January 2024

Publication Video

What are the Desired Characteristics of Calibration Sets? Identifying Correlates on Long Form Scientific Summarization

Griffin Adams, Bichlien Nguyen, Jake Smith, Yingce Xia, Shufang Xie, Anna Ostropolets, Budhaditya Deb, Yuan-Jyue Chen, Tristan Naumann, Noémie Elhadad

ACL 2023 | July 2023

Publication

Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design

Kehan Wu, Yingce Xia, Yang Fan, Pan Deng, Haiguang Liu, Lijun Wu, Shufang Xie, Tong Wang, Tao Qin, Tie-Yan Liu

August 2022

Preprint

Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design

Kehan Wu, Yingce Xia, Yang Fan, Pan Deng, Haiguang Liu, Lijun Wu, Shufang Xie, Tong Wang, Tao Qin, Tie-Yan Liu

August 2022

Preprint

What are the Desired Characteristics of Calibration Sets? Identifying Correlates on Long Form Scientific Summarization

Griffin Adams, Bichlien Nguyen, Jake Smith, Yingce Xia, Shufang Xie, Anna Ostropolets, Budhaditya Deb, Yuan-Jyue Chen, Tristan Naumann, Noémie Elhadad

ACL 2023 | July 2023

Publication

Building Multilingual Machine Translation Systems That Serve Arbitrary X-Y Translations

Akiko Eriguchi, Shufang Xie, Tao Qin, Hany Hassan Awadalla

NAACL 2022 (The 2022 Conference of the North American Chapter of the Association for Computational Linguistics: Human Language Technologies) | July 2022

Publication PDF Project

TamGen: drug design with target-aware molecule generation through a chemical language model

Kehan Wu, Yingce Xia, Pan Deng, Renhe Liu, Yuan Zhang, Han Guo, Yumeng Cui, Qizhi Pei, Lijun Wu, Shufang Xie, Si Chen, Xi Lu, Song Hu, Jinzhi Wu, C. Chan, Shawn Chen, Liangliang Zhou, Nenghai Yu, Enhong Chen, Haiguang Liu, Jinjiang Guo, Tao Qin, Tie-Yan Liu

Nature Communications | October 2024, Vol 15

DOI Publication

Re-evaluating Retrosynthesis Algorithms with Syntheseus

Krzysztof Maziarz, Austin Tripp, Guoqing Liu, Megan Stanley, Shufang Xie, Piotr Gaiński, Philipp Seidl, Marwin Segler

Faraday Discussions | October 2023

DOI Publication Publication

Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design

Kehan Wu, Yingce Xia, Yang Fan, Pan Deng, Haiguang Liu, Lijun Wu, Shufang Xie, Tong Wang, Tao Qin, Tie-Yan Liu

August 2022

Preprint

Target-aware Molecule Generation for Drug Design Using a Chemical Language Model

Yingce Xia, Kehan Wu, Pan Deng, Renhe Liu, Yuan Zhang, Han Guo, Yumeng Cui, Qizhi Pei, Lijun Wu, Shufang Xie, Si Chen, Xi Lu, Song Hu, Jinzhi Wu, Chi-Kin Chan, Shuo Chen, Liangliang Zhou, Nenghai Yu, Haiguang Liu, Jinjiang Guo, Tao Qin, Tie-Yan Liu

January 2024

Publication Video

What are the Desired Characteristics of Calibration Sets? Identifying Correlates on Long Form Scientific Summarization

Griffin Adams, Bichlien Nguyen, Jake Smith, Yingce Xia, Shufang Xie, Anna Ostropolets, Budhaditya Deb, Yuan-Jyue Chen, Tristan Naumann, Noémie Elhadad

ACL 2023 | July 2023

Publication

Retrosynthetic Planning with Dual Value Networks

Guoqing Liu, Di Xue, Shufang Xie, Yingce Xia, Austin Tripp, Krzysztof Maziarz, Marwin Segler, Tao Qin, Zongzhang Zhang, Tie-Yan Liu

ICML 2023 | June 2023

Publication

Building Multilingual Machine Translation Systems That Serve Arbitrary X-Y Translations

Akiko Eriguchi, Shufang Xie, Tao Qin, Hany Hassan Awadalla

NAACL 2022 (The 2022 Conference of the North American Chapter of the Association for Computational Linguistics: Human Language Technologies) | July 2022

Publication PDF Project

Target-Side Input Augmentation for Sequence to Sequence Generation

Shufang Xie, Ang Lv, Yingce Xia, Lijun Wu, Tao Qin, Tie-Yan Liu, Rui Yan

ICLR 2022 | April 2022

Publication

Temporally Correlated Task Scheduling for Sequence Learning

Xueqing Wu, Lewen Wang, Yingce Xia, Weiqing Liu, Lijun Wu, Shufang Xie, Tao Qin, Tie-Yan Liu

2021 International Conference on Machine Learning | July 2021

Publication Project