Automatically differentiable atomistic potentials for molecular simulations
☆56Jul 3, 2018Updated 7 years ago
Alternatives and similar repositories for differentiable-atomistic-potentials
Users that are interested in differentiable-atomistic-potentials are comparing it to the libraries listed below
Sorting:
- Quantum GAN algorithm based on MPS, realized by Julia.☆11Apr 5, 2019Updated 6 years ago
- Dump a quantum circuit in Yao to a tensor network graphical model☆11Dec 11, 2020Updated 5 years ago
- Graph Inference on MoLEcular Topology☆26Mar 25, 2023Updated 2 years ago
- Differentiable programming on quantum circuits with Flux☆19Feb 12, 2020Updated 6 years ago
- Simulated Full Amplitude Quantum Register (moved to Yao.jl/lib)☆12Dec 7, 2021Updated 4 years ago
- A package for creating a matrix product state (MPS) from a free fermion (Gaussian) state.☆10Dec 6, 2021Updated 4 years ago
- Python package to heuristically solve optimization problems on quasi-2d lattices using approximate tensor network contractions.☆12Sep 24, 2021Updated 4 years ago
- A projector QMC implementation of the transverse field Ising model☆11Oct 6, 2020Updated 5 years ago
- Volterra Integral Equation Solver☆12Feb 3, 2016Updated 10 years ago
- Auto differentiation over linear algebras (a Zygote extension)☆35Nov 24, 2025Updated 3 months ago
- PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches☆66Apr 19, 2018Updated 7 years ago
- projected entangled pair of states (PEPS), the quantum version☆25Apr 1, 2025Updated 10 months ago
- Convert Yao circuit to OMEinsum (tensor network) contraction.☆14Aug 11, 2024Updated last year
- Initial attempts at a package for defining many body systems in both quantum and statistical physics☆13May 31, 2021Updated 4 years ago
- A tutorial for Yao.jl☆12Oct 9, 2023Updated 2 years ago
- A Julia code for performing variational Monte Carlo (VMC) simulations of determinantal wave functions☆14Nov 16, 2017Updated 8 years ago
- Differential Programming and Natural Evolutationary Strategies optimization algorithms for transport Majorana Zero Modes.☆14Nov 27, 2020Updated 5 years ago
- A fully autodifferentiable and variational HF☆43Jun 18, 2020Updated 5 years ago
- Tensorflow + Molecules = TensorMol☆277Feb 11, 2021Updated 5 years ago
- ☆18Oct 28, 2025Updated 4 months ago
- variational quantum circuit simulator in Julia, under GPLv3☆33Feb 15, 2020Updated 6 years ago
- A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format☆31Feb 18, 2026Updated last week
- Deep learning meets molecular dynamics.☆186May 3, 2019Updated 6 years ago
- A differentiable parametrization of a group of unitary matrices.☆14May 13, 2021Updated 4 years ago
- Bootstrapping matrix quantum mechanics☆15Apr 23, 2020Updated 5 years ago
- Continuous Matrix Product States in Julia☆30Sep 24, 2025Updated 5 months ago
- fermionic Projected Entangled Pairs States (fPEPS)☆16Oct 25, 2018Updated 7 years ago
- Self-explaining Matrix Product States library in Python☆22Sep 2, 2023Updated 2 years ago
- OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.☆11Feb 7, 2025Updated last year
- A tool for weighted model counting through tensor network contraction☆22Nov 13, 2021Updated 4 years ago
- Hierarchical variational models for physics.☆18May 19, 2020Updated 5 years ago
- ☆19Sep 15, 2021Updated 4 years ago
- Hitchhiker's Guide to Deep Learning for Computational Scientists☆36Nov 26, 2018Updated 7 years ago
- ☆17Jan 2, 2021Updated 5 years ago
- Numerically computing correlation functions in 2d CFT, using Jupyter Notebooks.☆22Sep 5, 2019Updated 6 years ago
- Pytorch differentiable molecular dynamics☆184Sep 5, 2022Updated 3 years ago
- Finding the partition function of AF Ising model on lattice of C60 and its ground state degeneracy☆20May 16, 2019Updated 6 years ago
- Infinite order automatic differentiation for Monte Carlo with unnormalized probability distribution☆24Mar 24, 2023Updated 2 years ago
- Library of Quantum Many Body Algorithms in Simple Implementations☆20Apr 24, 2017Updated 8 years ago