Quantitative NMR analysis through least-squares fit of spectroscopy data
☆11Jan 29, 2020Updated 6 years ago
Alternatives and similar repositories for nmrfit
Users that are interested in nmrfit are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Official Edison Lab toolboxes and scripts for analyzing metabolomics data.☆14Mar 8, 2023Updated 3 years ago
- R functions underlying ExpressAnalyst☆14Mar 18, 2026Updated last week
- A software suite for automatic treatment, analysis and plotting of large and multivariable datasets of bioNMR peaklists.☆11Apr 17, 2020Updated 5 years ago
- NMR Chemical Shifts from Molecular Dynamics Simulation☆14Sep 17, 2021Updated 4 years ago
- ☆17Jul 7, 2025Updated 8 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A Python library for NMR simulation☆26Jan 15, 2024Updated 2 years ago
- PyTorch Implementation of CLEAN-Contact: Contrastive Learning-enabled Enzyme Functional Annotation Prediction with Structural Inference☆11May 29, 2024Updated last year
- A versatile tool for the rapid alignment of 1D NMR spectra☆19Sep 8, 2020Updated 5 years ago
- An introduction to importing, visualizing, and analyzing climate data in MATLAB.☆21Oct 10, 2025Updated 5 months ago
- A common Python API for multiple serialization formats☆24Feb 18, 2024Updated 2 years ago
- Leaf scale radiative transfer model based on spectral invariant properties - Matlab code☆13Nov 5, 2020Updated 5 years ago
- A scaffolded project involving pulling and installing a Live Task and using MATLAB and Python in combination to access and analyze data f…☆28Oct 29, 2025Updated 4 months ago
- Source files for the SmartRoot software. Website: https://smartroot.github.io/☆16Jun 28, 2022Updated 3 years ago
- cryo_fit1 source codes, test files, live at .../phenix-xxxx/modules☆10Mar 25, 2022Updated 4 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Github repository for nanoSPLITS manuscript data and R scripts☆10Oct 11, 2024Updated last year
- CAlculation of NMR Chemical Shifts using Deep LEarning☆64Mar 27, 2023Updated 2 years ago
- Single sample Gene Set Enrichment analysis (ssGSEA) and PTM Enrichment Analysis (PTM-SEA)☆13Jan 27, 2023Updated 3 years ago
- The Integrated Earth System Model (iESM) couples GCAM (http://www.globalchange.umd.edu/gcam/) to the Community Earth System Model☆15Jun 26, 2017Updated 8 years ago
- Applying Maths in the Chemical and Biomolecular Sciences by Godfrey Beddard☆17Jul 18, 2025Updated 8 months ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- Interactive NMR peak deconvolution☆18Sep 17, 2025Updated 6 months ago
- Using quantum chemical computation to find important reactions without requiring human intuition.☆18May 9, 2018Updated 7 years ago
- Snakemake-based amplicon processing protocol for 16S and ITS sequences.☆13Mar 18, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- An R / Python wrapper to interactively run a GCAM scenario☆14Mar 5, 2026Updated 2 weeks ago
- Given a global mean temperature pathway, generate random global climate fields consistent with it and with spatial and temporal correlati…☆14Oct 8, 2020Updated 5 years ago
- This contains all the files and scripts necessary to participate in the FTICR-MS data analysis demonstration at the SBR SFA Community Wor…☆18Jul 8, 2020Updated 5 years ago
- The Capacity Expansion Regional Feasibility (CERF) model☆16Jan 24, 2025Updated last year
- ☆12Aug 15, 2023Updated 2 years ago
- ChemFormula is a Python library for working with chemical formulas. It supports parsing formulas, generating formatted output strings, ca…☆33Nov 1, 2025Updated 4 months ago
- Galaxy tools for metabolomics maintained by Workflow4Metabolomics☆33Jan 20, 2026Updated 2 months ago
- Tools for performing vibrational analysis on molecular systems.☆18Sep 15, 2023Updated 2 years ago
- Dynamic Radii Adjustment for COntinuum Solvation☆18Aug 22, 2025Updated 7 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Pipeline to apply encoded Kmer analysis to protein sequences☆16Mar 13, 2026Updated last week
- A workflow for metabolite identification and accurate profiling in multidimensional LC-IM-MS-DIA measurements. DOI: 10.5281/zenodo.☆16Apr 25, 2023Updated 2 years ago
- ☆17Feb 5, 2026Updated last month
- Automated reaction discovery and dataset generation with the growing string method☆22Feb 6, 2020Updated 6 years ago
- RHermes is a semi-targeted metabolomics package to deeply characterize biological and environmental samples.☆28Jun 4, 2025Updated 9 months ago
- Advanced Lake Biogeochemistry Model☆22Updated this week
- a curated list of resources for everyone interested in learning about digital chemistry☆40Jan 25, 2026Updated 2 months ago