Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
☆24Sep 1, 2025Updated 6 months ago
Alternatives and similar repositories for DeepDL
Users that are interested in DeepDL are comparing it to the libraries listed below
Sorting:
- Repo hosting the MetFrag website☆10Jan 24, 2025Updated last year
- Highly accurate and large-scale collision cross section prediction with graph neural network for compound identification☆17Jun 19, 2023Updated 2 years ago
- LipidFinder: A computational workflow for discovery of new lipid molecular species☆21Feb 14, 2021Updated 5 years ago
- Component Identification with Raman Spectroscopy Made Easy☆19Jan 16, 2025Updated last year
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Sep 22, 2023Updated 2 years ago
- ☆23Oct 6, 2022Updated 3 years ago
- Deep Learning for Chemical Image Recognition (DECIMER)☆18May 3, 2021Updated 4 years ago
- ☆11Apr 10, 2022Updated 3 years ago
- ☆14Mar 6, 2022Updated 3 years ago
- ☆11Nov 30, 2024Updated last year
- The Chemical Reaction Optimization (CRO) algorithm with dependent classes in python 3.☆11Apr 21, 2020Updated 5 years ago
- A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data☆26Jan 21, 2024Updated 2 years ago
- Pipeline for automated extraction of chemical property information from scientific documents☆20Sep 14, 2018Updated 7 years ago
- ☆11Dec 27, 2021Updated 4 years ago
- NMR structure elucidation☆18Jun 16, 2025Updated 8 months ago
- LipidCreator is a powerful stand alone kick-off tool for targeted lipidomics and a plugin for Skyline. It provides convenient tools to ge…☆11Updated this week
- Code for our paper Re-balancing Variational Autoencoder Loss for Molecule Sequence Generation.☆11Sep 4, 2022Updated 3 years ago
- ☆11Feb 5, 2024Updated 2 years ago
- Collisional cross-section prediction for modified and multiconformational peptides☆13Feb 18, 2026Updated last week
- Methods of druglikeness prediction☆16Nov 7, 2022Updated 3 years ago
- Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23…☆12Jan 14, 2023Updated 3 years ago
- Prediction of glycopeptide fragment mass spectra by deep learning☆10Feb 20, 2024Updated 2 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆11Sep 11, 2022Updated 3 years ago
- This is a R package for alignment of DIA mass-spec data☆12Jan 31, 2026Updated last month
- ☆12Jan 16, 2025Updated last year
- a deep learning-based retention time alignment tool for large cohort LC-MS data analysis☆15Dec 6, 2023Updated 2 years ago
- AlphaFlow Reinforcement Learning☆10Apr 13, 2023Updated 2 years ago
- Chemical Identification from images using a CNN☆12Sep 14, 2022Updated 3 years ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆23Dec 15, 2025Updated 2 months ago
- A deep learning solvation model☆13Aug 24, 2021Updated 4 years ago
- ☆13May 10, 2021Updated 4 years ago
- ChemoPy: freely available python package for computational biology and chemoinformatics.☆13May 30, 2021Updated 4 years ago
- A web based application predicts water solubility of any given chemical compound known or unknown☆14Jul 4, 2021Updated 4 years ago
- A bioinformatic tool facilitating automated in-source fragmentation identification☆10Sep 6, 2022Updated 3 years ago
- ☆12Jul 28, 2022Updated 3 years ago
- Augmenting Polymer Datasets via Iterative Rearrangement☆12Jun 30, 2023Updated 2 years ago
- Target prediction☆13May 8, 2020Updated 5 years ago
- Predicting molecular structure from multimodal spectroscopic data☆19Updated this week
- Package for analyzing MS with Python☆10Jan 11, 2018Updated 8 years ago