Analyzing thin-layer chromatography (TLC) chromatograms
☆18May 6, 2024Updated 2 years ago
Alternatives and similar repositories for TLC2Peak
Users that are interested in TLC2Peak are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Generative RNN for molecule de novo design☆20Jan 21, 2022Updated 4 years ago
- A geometric deep learning model for predicting molecular tensorial properties and selected spectra with high accurately and efficiency☆14Nov 10, 2024Updated last year
- ☆11Apr 10, 2022Updated 4 years ago
- A simple example of VAEs with KANs☆12May 17, 2024Updated 2 years ago
- This is the final project for the Udacity Machine Learning Nanodegree: Predicting article retweets and likes based on the title using Mac…☆39Sep 13, 2018Updated 7 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.
- Soil Health Data Cube for Europe☆15Jun 17, 2026Updated 3 weeks ago
- Accelerating Bayesian reaction optimization with limited data☆13Aug 5, 2023Updated 2 years ago
- Reinforcement learning for batch bioprocess optimization (Computers & Chemical Engineering, 2020)☆16Jun 14, 2022Updated 4 years ago
- ☆21Sep 18, 2025Updated 9 months ago
- This repository contains several image-to-image translation models, whcih were tested for RGB to NIR image generation. The models are Pi…☆15Mar 20, 2025Updated last year
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆20Oct 19, 2021Updated 4 years ago
- OSCAR (Open Source Chemistry Analysis Routines) is an open source extensible system for the automated annotation of chemistry in scientif…☆40May 10, 2026Updated last month
- code for Zagidullin et al 2021 "Comparative analysis of molecular fingerprints in prediction of drug combination effects"☆17Aug 1, 2022Updated 3 years ago
- A Python module for processing NMR spectra.☆38Jun 25, 2026Updated last week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- 中药网络药理学，包括预后基因筛选，分子对接，分子验证，各类图表的绘制等，设计了Python和R语言两种版本。The whole process of TCM network pharmacology, including prognostic gene screening,…☆27Nov 20, 2025Updated 7 months ago
- Pytorch implementation for NeurIPS-23:"GNNEvaluator: Evaluating GNN Performance On Unseen Graphs Without Labels"☆19Mar 21, 2024Updated 2 years ago
- Transformer-based molecular generative model for antiviral drug design☆17Nov 20, 2024Updated last year
- A curated list of papers on deep graph learning for drug discovery (DGL4DD).☆15Jun 20, 2023Updated 3 years ago
- A MolProbity-style visualization plugin for PyMOL☆16Jul 26, 2022Updated 3 years ago
- 📈Implementing the ADAM optimizer from the ground up with PyTorch and comparing its performance on six 3-D objective functions (each prog…☆23Jul 2, 2022Updated 4 years ago
- Analytical Chemistry GUI Toolbox☆49Updated this week
- Repo for paper "Inverse deep learning methods and benchmarks for artificial electromagnetic material design"☆24Jun 10, 2022Updated 4 years ago
- Materials for KDD2023 tutorial: Knowledge-augmented Graph Machine Learning for Drug Discovery: from Precision to Interpretability☆23Aug 8, 2023Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A curated collection of resources and research on vision neuroscience 👁️ 🧠☆23Mar 1, 2024Updated 2 years ago
- From RGB to NIR: Predicting of near infrared reflectance from visible spectrum aerial images of crops.☆26Dec 2, 2021Updated 4 years ago
- fuses molecular language and graph representation for property prediction☆25Jun 1, 2024Updated 2 years ago
- ☆30Apr 5, 2025Updated last year
- Wikipedia chemical structure explorer☆59Updated this week
- ☆24Apr 4, 2022Updated 4 years ago
- SMILES Toolkit☆25Jul 9, 2025Updated 11 months ago
- EPFL CH-457 "AI for chemistry"☆282Apr 3, 2026Updated 3 months ago
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆30Oct 18, 2024Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Graph-based machine learning for chemical property prediction☆34Feb 13, 2025Updated last year
- Traditional Chinese Medicine Network Pharmacology☆64Oct 22, 2025Updated 8 months ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆33Feb 7, 2026Updated 5 months ago
- Prediction molecular structure from NMR spectra☆48Mar 19, 2024Updated 2 years ago
- React component to display and process nuclear magnetic resonance (NMR) spectra.☆81Updated this week
- Official PyTorch Implementation for the "Distilling Datasets Into Less Than One Image" paper.☆39Jun 6, 2024Updated 2 years ago
- Implementation of Kolmogorov-Arnold Network (KAN) for Recommendations☆29May 15, 2024Updated 2 years ago