kunalghosh / Deep-Learning-SpectroscopyLinks
Code for deep learning models to predict molecular electronic properties.
☆16Updated 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
Sorting:
- ☆16Updated 5 years ago
- Deep-Learning-Based Components Identification for Raman Spectroscopy☆50Updated 6 years ago
- ☆22Updated 6 years ago
- molecule design for fluorescence☆12Updated 4 years ago
- Statistical Mechanics for Chemistry and Biology☆12Updated this week
- Highly accurate and large-scale collision cross section prediction with graph neural network for compound identification☆17Updated 2 years ago
- ☆14Updated last year
- an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)☆42Updated 3 years ago
- Jupyter notebooks describing data analysis procedures for my published/submitted papers☆14Updated 5 years ago
- ☆37Updated 3 years ago
- Quantifying Pairwise Chemical Similarity for Polymers☆15Updated 2 years ago
- ☆19Updated last year
- ☆25Updated 6 months ago
- Distributed representations of atoms, inspired by the Skip-gram model☆27Updated 2 years ago
- Repository containing code for analysis of Raman and IR spectra datasets☆27Updated 5 years ago
- Interactive plots with chemical structures☆15Updated 6 years ago
- Python program for modelling and simulating polymers.☆39Updated last month
- ☆26Updated 3 years ago
- Course materials for "Applied AI for Materials Science and Engineering"☆72Updated 3 years ago
- ☆44Updated last year
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆28Updated last year
- Geometric algebra attention mechanism for tensorflow, keras, pytorch, and jax☆22Updated 2 years ago
- Computational Chemistry☆26Updated 6 months ago
- ☆16Updated last year
- Thermodynamically Explainable Representations of AI and other black-box Paradigms☆35Updated last year
- Code for performing adversarial attacks on atomistic systems using NN potentials☆40Updated 3 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆49Updated 3 years ago
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆21Updated 3 years ago
- Quantum mechanical descriptor generation☆55Updated 5 years ago
- Deep learning for molecules quantum chemistry properties prediction☆40Updated 4 years ago