$Generating QM1B with PySCF$_{\text{IPU}}$$

Generating QM1B with PySCF $_{\text{IPU}}$

2 November 2023

Alexander Mathiasen

Paul Balanca

Carlo Luschi

Dominique Beaini

Andrew Fitzgibbon

Dominic Masters

Papers citing "Generating QM1B with PySCF$_{\text{IPU}}$"

4 / 4 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 21 105 0 21 Sep 2022
Graph Neural Networks with Learnable Structural and Positional Representations Vijay Prakash Dwivedi A. Luu T. Laurent Yoshua Bengio Xavier Bresson GNN 179 304 0 15 Oct 2021
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 213 370 0 20 Oct 2020
Scaling Laws for Neural Language Models Jared Kaplan Sam McCandlish T. Henighan Tom B. Brown B. Chess R. Child Scott Gray Alec Radford Jeff Wu Dario Amodei 220 4,424 0 23 Jan 2020