Chemical sciences

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Dataset Associated with the Manuscript "Path Toward High-Throughput Synthesis Planning via Performance Benchmarking"

Dataset Associated with the Manuscript "Path Toward High-Throughput Synthesis Planning via Performance Benchmarking"

dataset posted on 2024-08-09

A dataset of over one thousand computed tomography scans of battery cells

dataset posted on 2024-03-15

QM1B: one billion quantum mechanical simulations containing 9-11 heavy atoms

dataset posted on 2023-11-08

collection:
Datasets for Deep Imaging Inside Scattering Media Through Virtual Spatiotemporal Wavefront Shaping

posted on 2023-08-18

Dataset for Deep Imaging Inside Scattering Media Through Virtual Spatiotemporal Wavefront Shaping - Hyperspectral Reflection Matrices of Dense Colloid Nanoparticle Sample

dataset posted on 2023-08-18

Dataset for Deep Imaging Inside Scattering Media Through Virtual Spatiotemporal Wavefront Shaping - Hyperspectral Reflection Matrices of a USAF Target Under 1-Millimeter Mouse Brain Tissue

dataset posted on 2023-08-18

collection:
QD3SET-1: A Database with Quantum Dissipative Dynamics Data Sets

posted on 2023-07-22

Fenna–Matthews–Olson (FMO) datasets

dataset posted on 2023-07-22

Spin-Boson dataset

dataset posted on 2023-07-22

Peptide Conformers Dataset - PeptideCs

dataset posted on 2022-06-24