Efficient misspecification uncertainties for linear regression
☆16Mar 16, 2026Updated this week
Alternatives and similar repositories for popsregression
Users that are interested in popsregression are comparing it to the libraries listed below
Sorting:
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆25Apr 17, 2025Updated 11 months ago
- Public releases of the NeuralIL differentiable neural-network force field☆14Sep 10, 2024Updated last year
- Custom LaTeX2e documentclass for typesetting beautiful, modern theses.☆12Apr 5, 2022Updated 3 years ago
- ☆37Feb 22, 2026Updated 3 weeks ago
- Python implementation of Underdamped Langevin Inference, a method to infer the dynamical equation of underdamped stochastic systems from …☆17Jun 20, 2025Updated 9 months ago
- cinema toolkit for large data analysis and visualization☆13Sep 14, 2022Updated 3 years ago
- A collection of basic routines for Molecular Dynamics simulations implemented in Julia☆13Nov 4, 2025Updated 4 months ago
- FEMBasis contains interpolation routines for finite element function spaces. Given ansatz and coordinates of domain, shape functions are …☆14Mar 4, 2021Updated 5 years ago
- Code for enumerating and evaluating numerical methods for Langevin dynamics using near-equilibrium estimates of the KL-divergence. Accomp…☆13Mar 28, 2018Updated 7 years ago
- ☆24Jan 9, 2026Updated 2 months ago
- Superfast betabinomial fit implemented in Cython☆15Oct 21, 2025Updated 4 months ago
- Group Equivariant Linear Maps☆11Jun 4, 2021Updated 4 years ago
- A RL framework for Crystal Structure Generation using GRPO☆40Feb 8, 2026Updated last month
- ☆40Dec 13, 2025Updated 3 months ago
- A Three.js based crystallographic visualisation tool☆18Feb 3, 2023Updated 3 years ago
- ☆12May 10, 2024Updated last year
- NIST Interatomic Potential Repository property calculation tools☆12Feb 9, 2026Updated last month
- Lecture notes (Université de Bordeaux)☆15Feb 21, 2019Updated 7 years ago
- A fairly robust mathematics parsing engine for C++ projects.☆21Dec 14, 2024Updated last year
- ☆14May 13, 2020Updated 5 years ago
- Metadynamics code on the G-space.☆15Jan 14, 2026Updated 2 months ago
- [ICDCS 2023] Evaluation and Optimization of Gradient Compression for Distributed Deep Learning☆10Apr 28, 2023Updated 2 years ago
- cuPC: CUDA-based Parallel PC Algorithm for Causal Structure Learning on GPU☆16Mar 19, 2021Updated 5 years ago
- Official repository for the paper "Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing".☆18Dec 4, 2025Updated 3 months ago
- A Julia package for calculating irreducible Brillouin zones for 2D or 3D crystal structures.☆37Aug 12, 2025Updated 7 months ago
- Spatio-Spectral Graph Neural Networks (S²GNN)☆19Feb 25, 2025Updated last year
- An implementation of SchNet in JAX and JAX-MD.☆17Apr 5, 2022Updated 3 years ago
- ☆10Jun 19, 2023Updated 2 years ago
- Jax / Haiku implementation of DimeNet++.☆18Mar 31, 2022Updated 3 years ago
- Adaptive sampling algorithms for molecular transitions☆25Mar 4, 2026Updated 2 weeks ago
- Molecular Dynamic Graph Neural Network☆20Aug 5, 2021Updated 4 years ago
- Official Repository of Adaptive Message Passing☆20Jul 7, 2025Updated 8 months ago
- Build neural networks for machine learning force fields with JAX☆133Jun 2, 2025Updated 9 months ago
- DRAFT : Dataset Reconstruction Attack From Trained ensembles. Source code associated with the paper "Trained Random Forests Completely Re…☆19Aug 25, 2025Updated 6 months ago
- DIfferentiable MOlecular Simulator (DIMOS): A pyTorch based framework for machine-learning enhanced simulations☆31Nov 11, 2025Updated 4 months ago
- Examples to control the Opal C1 from within python.☆16May 7, 2023Updated 2 years ago
- Learning Hawkes Processes from a Handful of Events☆13Jul 6, 2023Updated 2 years ago
- This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.☆21Aug 30, 2022Updated 3 years ago
- Materials science with Python at the atomic-scale☆232Mar 11, 2026Updated last week