wcaquino / BuilderMaster
☆33Updated 7 years ago
Related projects ⓘ
Alternatives and complementary repositories for BuilderMaster
- Inverse materials design via invertible neural networks☆60Updated last year
- Python module for scientists working with glass materials☆28Updated last month
- A python package for spectral deconvolution of UV-Vis waveforms☆12Updated 3 years ago
- Machine learning code, derivatives calculation and optimization algorithms developed during the Machine Learning course at Universidade d…☆15Updated 3 years ago
- Sequential Learning App for Materials Discovery ("SLAMD") - Web Version☆21Updated this week
- Python tools for quantum chemical calculations☆17Updated 10 months ago
- scalable multi-fidelity machine learning☆9Updated 3 years ago
- The database contains a vast set of data on the properties of glass materials.☆38Updated 5 years ago
- Python implementation of Least Squares Support Vector Machine for classification on CPU (NumPy) and GPU (PyTorch).☆53Updated last year
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆10Updated last year
- Notes from MSc Mathematical Engineering - Statistical Learning at Politecnico di Milano 📚☆18Updated 2 years ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆17Updated 5 years ago
- ☆17Updated 3 weeks ago
- use interpretable machine learning to explain chemical reactions☆12Updated 3 years ago
- ARES OS™ is research software to streamline the creation of systems for closed-loop, autonomous experimentation.☆32Updated 3 years ago
- Implementation of various machine learning representations for molecules☆24Updated 2 years ago
- Uncertainty Quantification for Materials Property Prediction: a Benchmark Study☆14Updated 3 months ago
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆16Updated 9 months ago
- Tools for extracting data and metadata from scientific data files☆13Updated last month
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆15Updated this week
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆25Updated this week
- Bayesian optimization for chemistry☆14Updated 8 months ago
- A collection of files related to machine learning force fields☆19Updated last year
- ☆9Updated 7 months ago
- Gaussian Approximation Potential Training☆17Updated 2 years ago
- implementation of Franck Farris recipes to produce wallpaper patterns☆10Updated 7 months ago
- TSCoDe is a systematical conformational embedder for small molecules. It helps computational chemists build transition states and binding…☆12Updated 7 months ago
- ☆15Updated 6 months ago
- PyQt based GUI tool which allows to visualize, design and export the lattice graph models.☆30Updated 7 years ago
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆11Updated last week
- Julia package towards classical molecular modeling of nanoporous materials☆51Updated 4 months ago