Code for deep learning models to predict molecular electronic properties.
☆16Jan 19, 2024Updated 2 years ago
Alternatives and similar repositories for Deep-Learning-Spectroscopy
Users that are interested in Deep-Learning-Spectroscopy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Spectroscopy with Deep Learning☆32May 20, 2018Updated 7 years ago
- Tools for loading, processing, and plotting multidimensional spectroscopy data.☆19Mar 25, 2026Updated 2 weeks ago
- The link to the website is at☆14Aug 12, 2015Updated 10 years ago
- Graph-building for AtomicGraphNets☆12Nov 20, 2023Updated 2 years ago
- Deep-Learning-Based Components Identification for Raman Spectroscopy☆52Jan 3, 2020Updated 6 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Protein preparation for MD, made faster and easier !☆15Dec 18, 2023Updated 2 years ago
- COSMOSS is a Coupled OScillator MOdel Spectrum Simulator☆10Jun 20, 2021Updated 4 years ago
- This repository contains the inference, model and tokenizer code for the Molecular Fingerprinting model MFBERT.☆12Nov 8, 2021Updated 4 years ago
- Nuclear many-body course for 2018☆19Aug 5, 2022Updated 3 years ago
- ☆10Feb 16, 2026Updated last month
- Spectra.jl aims at helping treatment of spectral (Raman, Infrared, XAS, NMR) data under the Julia language☆40Apr 3, 2026Updated last week
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 3 years ago
- Simulation, Bayesian inference and Bayesian model selection for chemical kinetics in Julia☆17Mar 28, 2017Updated 9 years ago
- Electronic structure calculations using Julia☆14Dec 7, 2021Updated 4 years ago
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- Noise learning for Raman microscopy☆13Dec 15, 2023Updated 2 years ago
- Source code and demos for "Rapid identification of pathogenic bacteria using Raman spectroscopy and deep learning"☆111Nov 5, 2019Updated 6 years ago
- Daily analyses of genomic SARS-CoV-2 data☆15Nov 8, 2022Updated 3 years ago
- Transformer in Chemical Language Model sometimes misunderstands chirality☆13Apr 19, 2024Updated last year
- Streamlining data processing and modeling for spectroscopy applications☆34Sep 12, 2024Updated last year
- Propagators for Quantum Dynamics and Optimal Control☆20Mar 30, 2026Updated last week
- 🌈 A collaborative list of awesome tools for spectroscopy. Also, check:☆130Aug 1, 2023Updated 2 years ago
- Software for analysis of time-resolved and transient absorption data from pump-probe experiments (1D) and 2D-IR☆16Feb 25, 2026Updated last month
- JAGuar board for FreeEMS☆19Apr 13, 2017Updated 8 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- 个人笔记☆15Apr 1, 2026Updated last week
- MATLAB Analysis Pipeline that takes raw polarimetry data, computes Mueller Matrices and various metrics, and then performs stats on these…☆16Apr 6, 2017Updated 9 years ago
- Software for universal camera control and frames acquisition☆18Feb 6, 2023Updated 3 years ago
- Resonant Ultrasound Spectroscopy☆13Oct 23, 2025Updated 5 months ago
- A fast and efficient spectra standardization algorithm.☆11May 2, 2019Updated 6 years ago
- Deep Reinforcement Learning examples using Julia☆20Feb 8, 2020Updated 6 years ago
- Laser-Induced Break Down Spectroscopy spectra analysis software☆10Jul 30, 2019Updated 6 years ago
- MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules☆22Mar 21, 2025Updated last year
- Research files to fit Raman Spectroscopy data to a Double Lorentzian peak equation using a genetic algorithm☆13Aug 5, 2017Updated 8 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Data analysis package for cubes. https://cubeviz.readthedocs.io/en/latest/☆15Jul 20, 2021Updated 4 years ago
- A python program for calculating the mass of XAFS [X-Ray Absorption Fine Structure] samples. The chemical formula parser understands pare…☆11Mar 30, 2026Updated last week
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆27Sep 2, 2025Updated 7 months ago
- Provide support for some type of radio spectra on solar physics☆17Mar 23, 2026Updated 2 weeks ago
- A list of functions for master equation quantum optics simulations based on python QuTiP☆15Oct 18, 2014Updated 11 years ago
- User-friendly 2D chemical structure drawing tool☆33Apr 2, 2026Updated last week
- ViscoWave is a tool for Dynamic Backcalculation of Falling Weight Deflectometer (FWD) Time History Data☆18Jul 28, 2023Updated 2 years ago