Van Gulick, Ana Holmes, Kristi Gonzales, Sara

In February 2022, the NIH Office of Data Science Strategy launched the Generalist Repository Ecosystem Initiative (GREI), which brings together seven generalist repositories (GRs) (Dataverse, Dryad, Figshare, Mendeley Data, Open Science Framework, Vivli, and Zenodo) to enhance support for NIH data sharing and discovery in generalist...

Iacovella, Christopher Wieder, Marcus Chodera, John

Curated SPICE 1 OpenFF Dataset: Full dataset restricted to elements H, C, N, O, F, Cl, S, version "full_dataset_v0_HCNOFClS": This provides a curated hdf5 file for a subset of the SPICE 1 OpenFF dataset (Open Force Field initiative default level of theory) designed to be compatible with?modelforge, an infrastructure to implement and train...

PepStats_Tables_Bash Motivation This script was generated with the objective of constructing a table summarizing the main physical-chemical properties associated with each protein present in a given proteome. The script uses PepStats, an EMBOSS program to extract and construct a table displaying the following protein...

Fasta_Seq_Prepare_Bash Motivation The main motivation for generating this script was to be able to pre-process both transcriptome and/or proteome fasta files before subjecting them to computational analysis. By default the '-d' flag (Dust Gremlings) of the script will remove characters that, if present in the sequence, have the potential...

Fasta_Seq_Plot_Bash Motivation The primary objective behind creating this script was to facilitate the generation of 'pdf' or 'png' image files depicting the size distribution of transcripts or proteins, excluding genomes, from fasta files. Example...

Fasta_GFF3_Equalizer_Bash Motivation The main motivation for creating this script was to be able to pre-process both transcriptome and proteome FASTA files before subjecting them to computational analysis. This script was developed because transcriptome and protein files downloaded from the ENSEMBL database contain transcripts and...

Peschel, Martin

We calculated surface hopping trajectories using for the cyclohex-2-enone-BF3 complex using the SHARC program package and a new SHARC-FermiONs interface.? This dataset contains the full trajectory data for the two conformers of cyclohex-2-enone-BF3 in the gasphase and in an explicit dichloromethane solvant.

Daniels, Ariel Flavin, Kennedy Vezard, Melissa

Coastal California is home to a network of Marine Protected Areas (MPAs) that aim to safeguard the state's marine resources and ecosystems. Little is known about who is served and not served by California's MPAs, with large gaps in environmental justice implications. Our study aimed to investigate access to MPAs across communities in California...

Daniels, Ariel Flavin, Kennedy Vezard, Melissa

Coastal California is home to a network of Marine Protected Areas (MPAs) that aim to safeguard the state's marine resources and ecosystems. Little is known about who is served and not served by California's MPAs, with large gaps in environmental justice implications. Our study aimed to investigate access to MPAs across communities in California...

Garcia-Penalvo, Francisco Jose

La conferencia “La influencia de la Inteligencia Artificial Generativa en los procesos de investigacion” se impartio el 26 de junio de 2024 en la Escuela Politecnica de Mieres, Se aborda la creciente relevancia de la Inteligencia Artificial generativa y su impacto en multiples dominios de la investigacion. La presentacion inicia con una vision...