peastman / statmechLinks
☆133Updated 7 years ago
Alternatives and similar repositories for statmech
Users that are interested in statmech are comparing it to the libraries listed below
Sorting:
- Python energy landscape explorer☆98Updated 6 years ago
- Notebooks for "A high bias low-variance introduction to Machine Learning for physicists."☆69Updated 5 years ago
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆69Updated 11 months ago
- Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)☆114Updated 3 years ago
- A mini-course offered to Undergrad physics students☆35Updated 3 years ago
- DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electr…☆58Updated 3 months ago
- Exercises and notes for N.G. Van Kampen's Stochastic Processes in Physics and Chemistry☆37Updated last month
- GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…☆103Updated last year
- This is a collection of answers to a SM book Statistical Mechanics Theory and Molecular simulation written by Mark E. Tuckerman. Lecture…☆35Updated 9 years ago
- Jupyter Notebooks of Leonard Susskind's Statistical Mechanics lectures☆17Updated 6 years ago
- Mathematical Introduction to Electronic Structure Theory☆46Updated 6 years ago
- Deep learning meets molecular dynamics.☆181Updated 6 years ago
- PySCF with auto-differentiation☆83Updated last week
- Differentiate all the things!☆157Updated 3 weeks ago
- A fully autodifferentiable and variational HF☆42Updated 5 years ago
- A minimalistic atomic Density Functional Theory (DFT) code☆137Updated last week
- ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"☆39Updated 3 years ago
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆93Updated 2 weeks ago
- N-Dimensional MD engine with symmetry group constraints written in C☆49Updated last year
- Distance-based Analysis of DAta-manifolds in python☆132Updated last month
- Assortment of code for model systems in computational physics. github.com/rajeshrinet/compPhy☆76Updated 2 years ago
- Parameterisation of Equivariant Properties of Particle Systems☆65Updated 7 months ago
- Wigner's 3J, 6J, 9J symbols for python☆22Updated 3 weeks ago
- Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems☆28Updated 2 months ago
- Code I have written for course: Statistical Mechanics and Computations☆25Updated 3 weeks ago
- Some python workbooks with various topics from Computational Physics☆61Updated 2 years ago
- Python library for real space quantum Monte Carlo☆92Updated 2 weeks ago
- Automatically differentiable atomistic potentials for molecular simulations☆56Updated 7 years ago
- Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".☆40Updated 3 years ago
- Statistical Mechanics 2D Ising Model Simulations☆102Updated 10 years ago