CederGroupHub / sparse-lm
Sparse Linear Regression Models
☆17Updated last week
Alternatives and similar repositories for sparse-lm:
Users that are interested in sparse-lm are comparing it to the libraries listed below
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆13Updated 2 months ago
- Code for performing adversarial attacks on atomistic systems using NN potentials☆36Updated 2 years ago
- A julia package for the manipulation of crystal net representations and topology☆44Updated 2 weeks ago
- Calculation of vibrational spectra with quantum nuclear motion☆10Updated 7 months ago
- Input files for Batzner, S., Musaelian, A., Sun, L., Geiger, M., Mailoa, J. P., Kornbluth, M., ... & Kozinsky, B. (2021). E(3)-equivarian…☆13Updated 3 years ago
- Machine Learned Interatomic Potential Tools☆23Updated this week
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 3 years ago
- PyTorch Autodiff DFT-D4 Implementation.☆19Updated 2 weeks ago
- Pushing the Pareto front of band gap and permittivity with ML-guided dielectric materials discovery incl. experimental synthesis and char…☆10Updated last month
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 2 years ago
- A framework for using topological data analysis to extract structure/symmetry from scientific systems.☆25Updated 2 years ago
- ☆25Updated 6 months ago
- Basis set optimization library for quantum chemistry☆34Updated last year
- A software for automating materials science computations☆30Updated 3 weeks ago
- ☆19Updated last month
- Alchemical machine learning interatomic potentials☆15Updated 6 months ago
- ☆17Updated last month
- ☆11Updated this week
- Robust NN MD simulator☆20Updated last year
- A generic and fast solver of mode-coupling theory-like integrodifferential equations☆18Updated last month
- A collection of files related to machine learning force fields☆21Updated last year
- Split a MOF into its building blocks.☆22Updated 2 years ago
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆12Updated last week
- Shared repo for trajectory analysis and infrastructure development☆19Updated last year
- Tracking citations of atomistic simulation engines☆20Updated 2 weeks ago
- tools for graph-based machine-learning potentials in jax☆24Updated last year
- This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.☆18Updated 2 years ago
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆21Updated 2 years ago
- ☆21Updated 5 years ago
- Tools for analysing molecular dynamics simulations using site occupations☆16Updated this week