From dccfc6906e34909c35f4b4dd6ae7af31d8e0e89f Mon Sep 17 00:00:00 2001 From: Mingxun Wang Date: Mon, 1 Jul 2024 11:12:26 -0700 Subject: [PATCH] updating --- docs/browselibraries.md | 4 ++++ docs/gnpslibraries.md | 6 ++++++ 2 files changed, 10 insertions(+) diff --git a/docs/browselibraries.md b/docs/browselibraries.md index 0f3370878..c24c160b6 100644 --- a/docs/browselibraries.md +++ b/docs/browselibraries.md @@ -8,6 +8,10 @@ There are several spectral libraries available at GNPS. They are either imported Clicking on a library brings users to a list of all MS/MS spectra that are in that library. The most up to date annotation is listed. +### Machine Learning Ready Datasets + +If you are looking to use the GNPS libraries for machine learning, cleanup is necessary. Given the multiple contributions from the community as well as imports/aggregation from many sources - there are some inconsistencies in the data. However, we've taken the time and effort to clean it up for machine learning, look to download this in the "Preprocessed Data" section [here](https://external.gnps2.org/gnpslibrary). + ### Most Recent Contributions At the bottom of the list of all spectral library, the most recent contributions of annotation library spectra are listed in reverse chronological order. These generous contributions from members of the community are just the latest amongst the thousands of MS/MS spectra deposited at GNPS. diff --git a/docs/gnpslibraries.md b/docs/gnpslibraries.md index 193d8bc1f..f0aaa5604 100644 --- a/docs/gnpslibraries.md +++ b/docs/gnpslibraries.md @@ -2,6 +2,12 @@ Pardon our dust this is a work in progress! +## Machine Learning Ready Datasets + +If you are looking to use the GNPS libraries for machine learning, cleanup is necessary. Given the multiple contributions from the community as well as imports/aggregation from many sources - there are some inconsistencies in the data. However, we've taken the time and effort to clean it up for machine learning, look to download this in the "Preprocessed Data" section [here](https://external.gnps2.org/gnpslibrary). + +## Library List + Here are all spectral libraries at GNPS. To download the spectra, go to [here](https://external.gnps2.org/gnpslibrary).