ngmsonn / TLC2PeakLinks
Analyzing thin-layer chromatography (TLC) chromatograms
☆17Updated last year
Alternatives and similar repositories for TLC2Peak
Users that are interested in TLC2Peak are comparing it to the libraries listed below
Sorting:
- ☆31Updated 5 years ago
- Implementations of different GNNs from scratch for chemists☆153Updated last month
- CheMeleon Descriptor-based Foundation Model☆90Updated last month
- ai_in_chemistry_workshop☆78Updated last year
- Generate molecular fingerprints using RDKit☆30Updated 2 years ago
- ☆59Updated 7 months ago
- ☆47Updated 5 years ago
- Creating machine learning algorithms from scratch☆18Updated 6 months ago
- GNN, GCN, Molecular Solubility, RDKit, Cheminformatics☆44Updated 4 months ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆37Updated last year
- Diffusion-based molecule conformer generation☆43Updated last year
- A python package for chemical space visualization.☆149Updated 10 months ago
- De Novo Drug Design with RNNs and Transformers☆153Updated 2 weeks ago
- The repository for the course "Machine Learning in Drug Design" taught at the Jagiellonian University in 2023. The page is hosted by the …☆24Updated 2 years ago
- A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.☆157Updated last month
- K-means clustering☆22Updated 4 years ago
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆74Updated last week
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆78Updated 5 months ago
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆19Updated 4 years ago
- RDKit related blog posts, notebooks, and data.☆147Updated 2 weeks ago
- EPFL CH-457 "AI for chemistry"☆218Updated 6 months ago
- ☆19Updated 2 years ago
- Materials for the course Machine Learning for Molecular Engineering (3/7/10/20.C01/C51)☆25Updated 5 months ago
- Materials from the 2022 UGM☆45Updated 3 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆53Updated 5 years ago
- repository for Group-contribution based Graph neural Networks☆17Updated 3 months ago
- Python tool for generate fingerprints of a molecule☆84Updated 4 months ago
- Molecular vectorization and batch generation☆50Updated 4 years ago
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆32Updated 8 months ago
- Graph neural networks for molecular machine learning. Implemented and compatible with TensorFlow and Keras.☆60Updated 2 months ago