p7q-bio.BM

q-bio.BM

14 papers

Toxicity Prediction using Deep Learning

Thomas Unterthiner, Andreas Mayr, Günter Klambauer, Sepp Hochreiter

1503.01445

BERTology Meets Biology: Interpreting Attention in Protein Language Models

Jesse Vig, Ali Madani, Lav R. Varshney, Caiming Xiong, Richard Socher, Nazneen Fatema Rajani

2006.15222

Learning protein sequence embeddings using information from structure

Tristan Bepler, Bonnie Berger

1902.08661

AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery

Izhar Wallach, Michael Dzamba, Abraham Heifets

1510.02855

Protein structure generation via folding diffusion

Kevin E. Wu, Kevin K. Yang, Rianne van den Berg, James Y. Zou, Alex X. Lu, Ava P. Amini

2209.15611

Structure-based Drug Design with Equivariant Diffusion Models

Arne Schneuing, Charles Harris, Yuanqi Du, Kieran Didi, Arian Jamasb, Ilia Igashov, Weitao Du, Carla Gomes, Tom Blundell, Pietro Lio, Max Welling, Michael Bronstein, Bruno Correia

2210.13695

Distance-based Protein Folding Powered by Deep Learning

Jinbo Xu

1811.03481

Molecular Generation with Recurrent Neural Networks (RNNs)

Esben Jannik Bjerrum, Richard Threlfall

1705.04612

Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-design

Wengong Jin, Jeremy Wohlwend, Regina Barzilay, Tommi Jaakkola

2110.04624

Learning Gradient Fields for Molecular Conformation Generation

Chence Shi, Shitong Luo, Minkai Xu, Jian Tang

2105.03902

InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery

He Cao, Zijing Liu, Xingyu Lu, Yuan Yao, Yu Li

2311.16208

Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem

Brian L. Trippe, Jason Yim, Doug Tischer, David Baker, Tamara Broderick, Regina Barzilay, Tommi Jaakkola

2206.04119

MARS: Markov Molecular Sampling for Multi-objective Drug Discovery

Yutong Xie, Chence Shi, Hao Zhou, Yuwei Yang, Weinan Zhang, Yong Yu, Lei Li

2103.10432

Dirichlet Flow Matching with Applications to DNA Sequence Design

Hannes Stark, Bowen Jing, Chenyu Wang, Gabriele Corso, Bonnie Berger, Regina Barzilay, Tommi Jaakkola

2402.05841