Papers
Communities
Events
Blog
Pricing
Search
Open menu
Home
Papers
2409.01931
Cited By
On the design space between molecular mechanics and machine learning force fields
3 September 2024
Yuanqing Wang
Kenichiro Takaba
Michael S. Chen
Marcus Wieder
Yuzhi Xu
Tong Zhu
John Z. H. Zhang
Arnav M. Nagle
Kuang Yu
Xinyan Wang
Daniel J. Cole
Joshua A. Rackers
Kyunghyun Cho
Joe G. Greener
Peter K. Eastman
Stefano Martiniani
M. Tuckerman
AI4CE
Re-assign community
ArXiv
PDF
HTML
Papers citing
"On the design space between molecular mechanics and machine learning force fields"
6 / 6 papers shown
Title
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials
Peter K. Eastman
P. Behara
David L. Dotson
Raimondas Galvelis
John E. Herr
...
J. Chodera
Benjamin P. Pritchard
Yuanqing Wang
Gianni de Fabritiis
T. Markland
18
105
0
21 Sep 2022
Diffusion Models in Vision: A Survey
Florinel-Alin Croitoru
Vlad Hondru
Radu Tudor Ionescu
M. Shah
DiffM
VLM
MedIm
186
1,098
0
10 Sep 2022
Diffusion Models: A Comprehensive Survey of Methods and Applications
Ling Yang
Zhilong Zhang
Yingxia Shao
Shenda Hong
Runsheng Xu
Yue Zhao
Wentao Zhang
Bin Cui
Ming-Hsuan Yang
DiffM
MedIm
211
1,277
0
02 Sep 2022
The Open Catalyst 2020 (OC20) Dataset and Community Challenges
L. Chanussot
Abhishek Das
Siddharth Goyal
Thibaut Lavril
Muhammed Shuaibi
...
Brandon M. Wood
Junwoong Yoon
Devi Parikh
C. L. Zitnick
Zachary W. Ulissi
207
370
0
20 Oct 2020
Differentiable Molecular Simulations for Control and Learning
Wujie Wang
Simon Axelrod
Rafael Gómez-Bombarelli
AI4CE
82
49
0
27 Feb 2020
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
208
1,205
0
12 Feb 2018
1