JAXChem is a JAX-based deep learning library for complex and versatile chemical modeling
β82Jul 15, 2020Updated 5 years ago
Alternatives and similar repositories for jaxchem
Users that are interested in jaxchem are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Finite-temperature variational Monte Carlo calculation of uniform electron gas using neural canonical transformation.β16Jun 17, 2023Updated 2 years ago
- Shaded π quantile plotsβ12Apr 14, 2022Updated 4 years ago
- WuLiXueBao magazine article - automatic differentiation.β15Feb 3, 2022Updated 4 years ago
- Arbitrary order exchange-correlation functional derivatives using JAX.β22Jul 12, 2020Updated 5 years ago
- Infinite order automatic differentiation for Monte Carlo with unnormalized probability distributionβ25Mar 24, 2023Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI β’ AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Documentation:β131May 22, 2023Updated 2 years ago
- Lattice Convolutional Neural Network (LCNN)β11Sep 15, 2021Updated 4 years ago
- A Julia code for performing variational Monte Carlo (VMC) simulations of determinantal wave functionsβ15Nov 16, 2017Updated 8 years ago
- β16Jun 3, 2025Updated 11 months ago
- Graph Convolutional Networks in JAXβ34Jan 3, 2021Updated 5 years ago
- Initial attempts at a package for defining many body systems in both quantum and statistical physicsβ13May 31, 2021Updated 4 years ago
- Ab-initio simulation of interacting fermions with equivariant normalizing flow.β34Oct 23, 2022Updated 3 years ago
- A method which combines quantum many-body calculation and unbiased optimizers to automatically learn effective Hamiltonians for quantum mβ¦β24Dec 15, 2021Updated 4 years ago
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.β70Aug 21, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways β’ AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- learning coarse-grained force fieldsβ66Nov 30, 2021Updated 4 years ago
- A Julia package for n-dimensional sparse tensors.β27Dec 6, 2021Updated 4 years ago
- An experimental repo for experimenting with PyTorch modelsβ38Mar 24, 2023Updated 3 years ago
- HΓΌckel model + JAXβ14Oct 13, 2022Updated 3 years ago
- β22Dec 6, 2019Updated 6 years ago
- Quantum GAN algorithm based on MPS, realized by Julia.β11Apr 5, 2019Updated 7 years ago
- Pytorch differentiable molecular dynamicsβ186Sep 5, 2022Updated 3 years ago
- Tensor network contraction function for Julia.β21Aug 27, 2021Updated 4 years ago
- β19Sep 15, 2021Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer β’ AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Modern scientific computing for physicists - typstβ13Jan 31, 2026Updated 3 months ago
- Differentiable, Hardware Accelerated, Molecular Dynamicsβ1,411Updated this week
- Differential Programming and Natural Evolutationary Strategies optimization algorithms for transport Majorana Zero Modes.β14Nov 27, 2020Updated 5 years ago
- β80Sep 4, 2021Updated 4 years ago
- fermionic Projected Entangled Pairs States (fPEPS)β15Oct 25, 2018Updated 7 years ago
- A framework based on Tensorflow for running variational Monte-Carlo simulations of quantum many-body systems.β37Oct 30, 2020Updated 5 years ago
- A package for creating a matrix product state (MPS) from a free fermion (Gaussian) state.β10Dec 6, 2021Updated 4 years ago
- Differentiable programming on quantum circuits with Fluxβ19Feb 12, 2020Updated 6 years ago
- β93Dec 6, 2021Updated 4 years ago
- Managed hosting for WordPress and PHP on Cloudways β’ AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Riemannian optimization for quantum technologiesβ66Mar 25, 2023Updated 3 years ago
- β634Apr 18, 2026Updated 3 weeks ago
- Simulated Full Amplitude Quantum Register (moved to Yao.jl/lib)β12Dec 7, 2021Updated 4 years ago
- Python package to heuristically solve optimization problems on quasi-2d lattices using approximate tensor network contractions.β12Sep 24, 2021Updated 4 years ago
- Yet another ML method comparisonβ16Nov 20, 2022Updated 3 years ago
- (inactive) A web application client for chemical data analysis and visualization.β18Jun 22, 2022Updated 3 years ago
- Macros to define custom adjoints for TensorOperations.jlβ14Aug 17, 2021Updated 4 years ago