Ryan-Rhys / Mrk_335
Modelling the Multiwavelength Variability of Mrk-335 using Gaussian processes
☆13Updated 2 years ago
Alternatives and similar repositories for Mrk_335:
Users that are interested in Mrk_335 are comparing it to the libraries listed below
- Heteroscedastic Bayesian Optimisation in Numpy☆21Updated last year
- Code for performing adversarial attacks on atomistic systems using NN potentials☆34Updated 2 years ago
- Huxel: Huckel model + JAX (parameter optimization)☆10Updated 2 years ago
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆16Updated 11 months ago
- Golem: an algorithm for robust experiment and process optimization☆16Updated 3 years ago
- Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.☆38Updated this week
- A brain for self-driving laboratories☆29Updated 3 weeks ago
- ☆35Updated 9 months ago
- Computational Chemistry☆22Updated 3 months ago
- ☆31Updated 4 years ago
- These are the slides associated with the GNN tutorial at the APS March Meeting☆20Updated last year
- Distributed representations of atoms, inspired by the Skip-gram model☆25Updated last year
- Repository to host supporting information and code samples for Accelerated DFT☆20Updated 3 months ago
- Repository containing a benchmark dataset for machine learning property prediction of photoswitch molecules: https://pubs.rsc.org/en/cont…☆85Updated last year
- GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆25Updated last year
- Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"☆13Updated 4 years ago
- Molecular mechanics systems and simulation data☆15Updated 7 months ago
- The architector python package - for 3D metal complex design. C22085☆41Updated 2 weeks ago
- Automated reaction discovery and dataset generation with the growing string method☆17Updated 4 years ago
- This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.☆18Updated 2 years ago
- Input files for Batzner, S., Musaelian, A., Sun, L., Geiger, M., Mailoa, J. P., Kornbluth, M., ... & Kozinsky, B. (2021). E(3)-equivarian…☆12Updated 2 years ago
- Comparing graph representations for molecular features prediction☆21Updated last year
- Hückel model + JAX☆12Updated 2 years ago
- ☆10Updated 4 years ago
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆31Updated 11 months ago
- Python code for Hückel and Pariser-Parr-Pople molecular orbital theory☆14Updated last year
- Library for training Gaussian Processes on Molecules☆36Updated 3 years ago
- fast functionalisation of molecules☆36Updated 3 years ago
- ☆12Updated 6 years ago
- Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml…☆51Updated 2 years ago