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Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language
6 March 2023
Philipp Seidl
Andreu Vall
Sepp Hochreiter
G. Klambauer
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Papers citing
"Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language"
10 / 10 papers shown
Title
Entropy-Reinforced Planning with Large Language Models for Drug Discovery
Xuefeng Liu
Chih-chan Tien
Peng Ding
Songhao Jiang
Rick L. Stevens
37
4
0
11 Jun 2024
SysCaps: Language Interfaces for Simulation Surrogates of Complex Systems
Patrick Emami
Zhaonan Li
Saumya Sinha
Truc Nguyen
42
1
0
30 May 2024
Context-enriched molecule representations improve few-shot drug discovery
Johannes Schimunek
Philipp Seidl
Lukas Friedrich
Daniel Kuhn
F. Rippmann
Sepp Hochreiter
G. Klambauer
36
26
0
24 Apr 2023
Improving Molecular Pretraining with Complementary Featurizations
Yanqiao Zhu
Dingshuo Chen
Yuanqi Du
Yingze Wang
Qiang Liu
Shu Wu
AI4CE
23
6
0
29 Sep 2022
CLOOB: Modern Hopfield Networks with InfoLOOB Outperform CLIP
Andreas Fürst
Elisabeth Rumetshofer
Johannes Lehner
Viet-Hung Tran
Fei Tang
...
David P. Kreil
Michael K Kopp
G. Klambauer
Angela Bitto-Nemling
Sepp Hochreiter
VLM
CLIP
170
101
0
21 Oct 2021
Relative Molecule Self-Attention Transformer
Lukasz Maziarka
Dawid Majchrowski
Tomasz Danel
Piotr Gaiñski
Jacek Tabor
Igor T. Podolak
Pawel M. Morkisz
Stanislaw Jastrzebski
MedIm
26
33
0
12 Oct 2021
Paradigm Shift in Natural Language Processing
Tianxiang Sun
Xiangyang Liu
Xipeng Qiu
Xuanjing Huang
107
71
0
26 Sep 2021
Multilingual Molecular Representation Learning via Contrastive Pre-training
Zhihui Guo
P. Sharma
Andy Martinez
Liang Du
Robin Abraham
29
29
0
18 Sep 2021
Few-Shot Graph Learning for Molecular Property Prediction
Zhichun Guo
Chuxu Zhang
W. Yu
John E. Herr
Olaf Wiest
Meng-Long Jiang
Nitesh V. Chawla
AI4CE
96
130
0
16 Feb 2021
MoleculeNet: A Benchmark for Molecular Machine Learning
Zhenqin Wu
Bharath Ramsundar
Evan N. Feinberg
Joseph Gomes
C. Geniesse
Aneesh S. Pappu
K. Leswing
Vijay S. Pande
OOD
152
1,748
0
02 Mar 2017
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