spectra Open-Source Projects

nmrsim

1 20 1.4 Python

A Python library for NMR simulation

Project mention: I'm building a NMR analysis software to unravel complex and confusing spectra | /r/Chempros | 2023-12-09

I have been basing myself heavily on simulation libraries such as nmrsim, which use NMR theory to generate peaks from parameters. The peak parameters and relative proportions can be optimized to best reproduce the experimental signal (after some processing). Generic optimization algorithms seem to work pretty well, although there is obviously some more work to be done to improve the efficiency.

TrueColorTools

2 19 9.5 Python

GUI application for calculating human-visible colors of celestial bodies from their photometry data
InfluxDB

www.influxdata.com featured

Power Real-Time Data Analytics at Scale. Get real-time insights from all types of time series data with InfluxDB. Ingest, query, and analyze billions of data points in real-time with unbounded cardinality.

NOTE: The open source projects on this list are ordered by number of github stars. The number of mentions indicates repo mentiontions in the last 12 Months or since we started tracking (Dec 2020).