tsudalab / fmqaLinks
A trainable Binary Quadratic Model (BQM) as a Factorization Machine (FM)
☆24Updated 2 years ago
Alternatives and similar repositories for fmqa
Users that are interested in fmqa are comparing it to the libraries listed below
Sorting:
- ☆46Updated 3 weeks ago
- PHYSBO -- optimization tools for PHYsics based on Bayesian Optimization☆83Updated last week
- A Python implementation of the direct MaxFlux method for transition state search☆34Updated 3 weeks ago
- 「機械学習による分子最適化」のサポートページ☆12Updated last year
- ☆25Updated last year
- COMBO for Python 3☆34Updated 3 years ago
- Atomistic simulation hands on tutorial on Matlantis☆63Updated 4 months ago
- Materials Design by Monte Carlo Tree Search☆35Updated 4 years ago
- Course material for an undergraduate quantum chemistry lab class☆52Updated last year
- Psi4Education Labs Public Repository. If you are submitting a new lab, please submit it to the psi4education-instructor repo.☆55Updated 3 years ago
- 分子動力学法ステップ・バイ・ステップ☆17Updated 6 years ago
- Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters☆17Updated last year
- ☆55Updated last year
- GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…☆109Updated last year
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆40Updated 6 years ago
- Amons-based quantum machine learning for quantum chemistry☆25Updated last month
- Quantum computational chemistry based on TensorCircuit☆70Updated 5 months ago
- Canonical (Kohn-Sham) molecular orbital calculation software for large molecules such as protein☆13Updated 9 months ago
- Basis set optimization library for quantum chemistry☆35Updated 6 months ago
- A Python script for rendering cube files generated by Psi4☆19Updated 9 months ago
- Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)☆120Updated 3 years ago
- Generative deep learning model for inorganic materials☆19Updated 2 years ago
- A python package for exploring end-to-end chemistry workflows on quantum computers and simulators.☆133Updated 5 months ago
- 『Pythonで動かしてはじめる量子化学計算』(コロナ社,2024)☆23Updated last year
- optking: A molecular geometry optimization program☆25Updated 4 months ago
- an interface to semi-empirical quantum chemistry methods implemented with pytorch☆71Updated last week
- A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.☆69Updated 4 years ago
- ☆60Updated 6 months ago
- ☆17Updated 2 years ago
- Repository for all summer program related programs☆47Updated 4 months ago