🏆 Finalist — NIH Data Sharing Index (“S-Index”) Challenge

Marcus Wieder

Open Geospatial Consortium

ORCID: 0000-0003-2631-8415

Also affiliated with Open Molecular Software Foundation

Materials ScienceComputer ScienceBiochemistry, Genetics and Molecular Biology

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile
0Author DataRank

Indexed papers

1in pilot corpus
datarank_citation_only_1hop_v6· scope data_onlyMethodology
Why this DataRank?

An author's DataRank is the sum of the DataRanks of all 1 indexed paper attributed to them. A prolific author with many moderate-impact papers can outrank one with a single high-impact paper.

Author scores recompute whenever paper DataRanks are refreshed, so this number lags the underlying paper scores by at most one batch run.

Read the full methodology →

Papers

Driven by 5 papers. Top paper: “Fitting quantum machine learning potentials to experimental free energy data: predicting tautomer ratios in solution”.

Fitting quantum machine learning potentials to experimental free energy data: predicting tautomer ratios in solution

Chemical Science(2021)10.1039/d1sc01185e
N/A
0.561DataRank · unranked
41 citations

Josh Fass, John D. Chodera, Marcus Wieder

Towards chemical accuracy for alchemical free energy calculations with hybrid physics-based machine learning / molecular mechanics potentials

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.07.29.227959
N/A
0DataRank · unranked
108 citations

Hannah E. Bruce Macdonald, Josh Fass, Marcus Wieder, Patrick Grinaway, Adrián E. Roitberg +3 more

Fitting quantum machine learning potentials to experimental free energy data: Predicting tautomer ratios in solution

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.10.24.353318
N/A
0DataRank · unranked
15 citations

Josh Fass, John D. Chodera, Marcus Wieder

Teaching free energy calculations to learn from experimental data

bioRxiv (Cold Spring Harbor Laboratory)(2021)10.1101/2021.08.24.457513
N/A
0DataRank · unranked
15 citations

Josh Fass, John D. Chodera, Marcus Wieder

Insights and Challenges in Correcting Force Field Based Solvation Free Energies Using a Neural Network Potential

The Journal of Physical Chemistry B(2024)10.1021/acs.jpcb.4c01417
N/A
0DataRank · unranked
15 citations

Zhiyi Wu, Sara Tkaczyk, Shuzhe Wang, Adam L. Baskerville, Kavindri Ranasinghe +5 more