BGC Detection and Classification Using Deep Learning

(Meta-)genome screening for functional and natural product gene sequences

GEne Cluster prediction with COnditional random fields.

COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, and services for deposition, curation, and reuse.

Natural Product Discovery tools -- a toolkit containing various pipelines for in silico analysis of natural product mass spectrometry data

a *biosynformatic* fingerprint to explore natural product distance and diversity

Data-driven elucidation of flavor chemistry

https://taxonomicallyinformedannotation.github.io/tima

Machine learning meets natural products

NatUKE: Natural Product Knowledge Extraction Benchmark

This repository gathers scripts used for the paper "Open and re-usable annotated mass spectrometry dataset of a chemodiverse collection of 1,600 plant extracts."

Siderophore Information Database

Repository for data, code & figures related to the publication: "Natural products from reconstructed bacterial genomes of the Middle and Upper Paleolithic"

This repository is associated with the manuscript: "IMPPAT 2.0: An Enhanced and Expanded Phytochemical Atlas of Indian Medicinal Plants"

The NPLinker webapp for visualizing NPLinker predictions. Online demo 👇

Repository for files related to DEREP-NP dereplication database

Source code and data for "Natural products have increased rates of clinical trial success throughout the drug development process"

https://adafede.github.io/cascade

Reproducible code and data repository for the fungal ICS BGC prediction publication. GitHub repository is managed by Grant Nickles. For any data related questions email gnickles@wisc.edu or gnick317@gmail.com. For publication questions reach out to the corresponding authors Dr. Drott at Milton.Drott@usda.gov or Dr. Keller at npkeller@wisc.edu.

Facilitates cross-modal retrieval between natural products and biosynthetic gene clusters.

Graph Neural Network predicting the chemical composition of organism across the tree of life.

Source code and data for "Exploring the known chemical space of the plant kingdom: Insights into taxonomic patterns, knowledge gaps, and bioactive regions"

Feature interrelation profiling using COCONUT and ZINC database

A platform for connecting with the PSHC community, including researchers, healthcare professionals, and individuals interested in plant-based health.

Graphical user interface for RetroMol.

A small service to get up-to-date compounds found in taxon lists

Semi-automated pipeline for compound data curation (PubChem API) and target prediction (SwissTargetPrediction) with logging, validation, and web automation support.

MFQL files for Natural Products Dereplication

Mass Spectrometry-based Complex natural products (CNPs) Structure Annotation Tool

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