Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"
☆10May 29, 2022Updated 3 years ago
Alternatives and similar repositories for PMAW
Users that are interested in PMAW are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automatic Prediction of Peak Optical Absorption Wavelengths in Molecules using Convolutional Neural Networks☆14Sep 2, 2024Updated last year
- Noise learning for Raman microscopy☆13Dec 15, 2023Updated 2 years ago
- ☆29Feb 9, 2024Updated 2 years ago
- Implementation of graph convolutional networks to predict chromatographic retention times.☆15Sep 7, 2021Updated 4 years ago
- ☆13Jan 14, 2022Updated 4 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Sep 22, 2023Updated 2 years ago
- Graph-building for AtomicGraphNets☆12Nov 20, 2023Updated 2 years ago
- ☆37Oct 8, 2021Updated 4 years ago
- A python package for spectral deconvolution of UV-Vis waveforms☆14Jul 1, 2021Updated 4 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- Implementation of the Data-Driven SIMCA method for MATLAB☆10Mar 30, 2021Updated 4 years ago
- quantum chemistry common driver and databases☆16Dec 6, 2022Updated 3 years ago
- Predicting molecular structure from multimodal spectroscopic data☆19Mar 9, 2026Updated 2 weeks ago
- ☆11Apr 10, 2022Updated 3 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- COSMOSS is a Coupled OScillator MOdel Spectrum Simulator☆10Jun 20, 2021Updated 4 years ago
- Source code for Single-step Retrosynthesis Prediction by Leveraging Commonly Preserved Substructures☆14Jun 9, 2023Updated 2 years ago
- Stable Diffusion+LCM在SG2300X上,纵享丝滑一秒出图☆17Nov 29, 2024Updated last year
- Prediction of glycopeptide fragment mass spectra by deep learning☆11Feb 20, 2024Updated 2 years ago
- ☆11Nov 30, 2024Updated last year
- ☆12Jan 16, 2025Updated last year
- ☆11Feb 5, 2024Updated 2 years ago
- ☆31Mar 14, 2021Updated 5 years ago
- ☆10Feb 16, 2026Updated last month
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Collisional cross-section prediction for modified and multiconformational peptides☆13Mar 18, 2026Updated last week
- Package for analyzing MS with Python☆10Jan 11, 2018Updated 8 years ago
- ABC-Net for molecular image recognition☆17Jan 3, 2022Updated 4 years ago
- This is a R package for alignment of DIA mass-spec data☆12Jan 31, 2026Updated last month
- ☆14Feb 20, 2024Updated 2 years ago
- Simulation, Bayesian inference and Bayesian model selection for chemical kinetics in Julia☆17Mar 28, 2017Updated 8 years ago
- a deep learning-based retention time alignment tool for large cohort LC-MS data analysis☆15Dec 6, 2023Updated 2 years ago
- ☆11Feb 20, 2026Updated last month
- Repo hosting the MetFrag website☆10Jan 24, 2025Updated last year
- 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.
- Electronic structure calculations using Julia☆14Dec 7, 2021Updated 4 years ago
- An editor to View and Edit Chemical Spectra data (NMR, IR and MS).☆16Mar 20, 2026Updated last week
- ☆15Mar 6, 2022Updated 4 years ago
- DLL and SO from Bruker.☆12Feb 25, 2026Updated last month
- A "fairly fast" ISOtope PAttern Calculator for Python☆13Sep 27, 2023Updated 2 years ago
- Text2speech & tone color conversion demo running on SG2300x 结合openvoice和emotivoice的TTS+即时克隆☆22Oct 30, 2024Updated last year
- ☆13May 10, 2021Updated 4 years ago