CederGroupHub / sparse-lmLinks
Sparse Linear Regression Models
☆19Updated this week
Alternatives and similar repositories for sparse-lm
Users that are interested in sparse-lm are comparing it to the libraries listed below
Sorting:
- ☆26Updated 9 months ago
- PyTorch Autodiff DFT-D4 Implementation.☆21Updated last week
- Code for performing adversarial attacks on atomistic systems using NN potentials☆39Updated 2 years ago
- Machine Learned Interatomic Potential Tools☆24Updated this week
- A flexible and performant framework for training machine learning potentials.☆28Updated this week
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆17Updated last year
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- Distributed representations of atoms, inspired by the Skip-gram model☆26Updated 2 years ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆28Updated this week
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆22Updated this week
- Massively parallel hybrid particle-field molecular dynamics in Python.☆29Updated 11 months ago
- A brain for self-driving laboratories☆42Updated 3 months ago
- Uncertainty Quantification for Materials Property Prediction: a Benchmark Study☆16Updated last year
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆21Updated 4 years ago
- ☆10Updated 4 years ago
- Point Edge Transformer☆29Updated 2 months ago
- Moment Invariants Local Atomic Descriptor☆32Updated last year
- Simmate is full-stack framework for chemistry research.☆35Updated last week
- ☆21Updated last week
- Mr. Network is a python reaction-network for molecular systems☆11Updated 3 years ago
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Updated 10 months ago
- ☆17Updated last year
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆12Updated 3 weeks ago
- A program to automatically generate volcano plots for catalysis.☆15Updated 8 months ago
- Equivariant machine learning interatomic potentials in JAX.☆75Updated 4 months ago
- Input script for Monte Carlo (GCMC) simulations☆19Updated 11 months ago
- A software for automating materials science computations☆31Updated 2 months ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Updated 10 months ago
- Fast Numba-enabled CPU and GPU computations of Earth Mover's (scipy.stats.wasserstein_distance) and Euclidean distances.☆18Updated 7 months ago
- ☆40Updated 2 weeks ago