Code for the paper "Algorithmic Differentiation for Automatized Modelling of Machine Learned Force Fields"
☆14Jul 2, 2023Updated 3 years ago
Alternatives and similar repositories for ad-kernels
Users that are interested in ad-kernels are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- tools for graph-based machine-learning potentials in jax☆27Apr 9, 2024Updated 2 years ago
- Notebooks accompanying the paper on GPR in materials and molecules in Chemical Reviews 2020☆11May 4, 2021Updated 5 years ago
- MATH-661☆12Mar 11, 2025Updated last year
- ☆12Aug 1, 2025Updated last year
- An implementation of SchNet in JAX and JAX-MD.☆17Apr 5, 2022Updated 4 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆15Jul 11, 2022Updated 4 years ago
- sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model☆168Jun 13, 2025Updated last year
- ☆15Jun 26, 2026Updated 2 months ago
- Particle-mesh based calculations of long-range interactions in JAX☆30Aug 9, 2026Updated 3 weeks ago
- ☆14Jun 12, 2023Updated 3 years ago
- A Julia interface for working with vector like objects☆45Aug 20, 2026Updated last week
- PyTorch implementations of Self-Supervised Learning Method☆13Feb 9, 2023Updated 3 years ago
- Automatic Sparse Differentiation in JAX.☆45Aug 11, 2026Updated 3 weeks ago
- ☆14May 10, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Gaussian process augmented with a probabilistic model of expected system's behavior☆15Mar 18, 2022Updated 4 years ago
- Measuring generalization properties of graph neural networks☆15Aug 11, 2025Updated last year
- Build neural networks for machine learning force fields with JAX☆138Jun 2, 2025Updated last year
- Integrated Global System Model☆11Apr 28, 2023Updated 3 years ago
- Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.☆20Jan 18, 2025Updated last year
- Official Implementation of "Graph Neural Network-Inspired Kernels for Gaussian Processes in Semi-Supervised Learning"☆18Feb 11, 2023Updated 3 years ago
- A Julia package for the computation of hard, theoretically guaranteed bounds on the moments of jump-diffusion processes with polynomial d…☆15May 19, 2025Updated last year
- Data-driven risk-conscious thermoelectric materials discovery☆18Jul 31, 2026Updated last month
- NIST Interatomic Potential Repository property calculation tools☆13Aug 6, 2026Updated 3 weeks ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆52May 4, 2026Updated 3 months ago
- ☆11Sep 16, 2024Updated last year
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆126Jul 30, 2026Updated last month
- Julia library for working with sinograms / tomography / Radon transform☆17Jul 21, 2026Updated last month
- Multiplicative Normalizing Flows in PyTorch.☆25Jul 31, 2026Updated last month
- ☆10Mar 18, 2021Updated 5 years ago
- Design space subset estimation using Bayesian algorithm execution with sklearn GP models☆25Nov 3, 2024Updated last year
- ☆24Mar 5, 2026Updated 5 months ago
- Powder X-ray diffraction Rietveld refinement using FullProf.☆12Mar 20, 2022Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆25Nov 1, 2023Updated 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…☆16Jul 3, 2025Updated last year
- an infrastructure wiki. POC☆17Sep 12, 2019Updated 6 years ago
- Reduced basis methods for parametrised eigenproblems☆15Nov 28, 2024Updated last year
- ☆18Updated this week
- FLOPS counter for all your GPU benchmarking needs☆13Aug 8, 2024Updated 2 years ago
- Python package for quantum circuits and algorithms, focusing on quantum simulation☆19Dec 15, 2024Updated last year