qmlcode / qmlLinks
QML: Quantum Machine Learning
☆207Updated 9 months ago
Alternatives and similar repositories for qml
Users that are interested in qml are comparing it to the libraries listed below
Sorting:
- Python module for quantum chemistry☆74Updated this week
- Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.☆155Updated last year
- Deep Tensor Neural Network☆77Updated 8 years ago
- A python package for exploring end-to-end chemistry workflows on quantum computers and simulators.☆130Updated last month
- A Schema for Quantum Chemistry☆100Updated 2 years ago
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆171Updated 3 weeks ago
- Combining Psi4 and Numpy for education and development.☆377Updated last year
- Quantum chemistry program executor and IO standardizer (QCSchema).☆185Updated last month
- A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.☆69Updated 4 years ago
- OpenFermion plugin to interface with the electronic structure package PySCF.☆110Updated 5 months ago
- A distributed compute and database platform for quantum chemistry.☆154Updated 2 weeks ago
- Tensorflow + Molecules = TensorMol☆275Updated 4 years ago
- Phoenics: Bayesian optimization for efficient experiment planning☆94Updated 6 years ago
- Files used in TMP Chem videos on computational chemistry☆233Updated 5 years ago
- Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions☆69Updated 6 years ago
- PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches☆65Updated 7 years ago
- ☆55Updated last year
- Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)☆114Updated 3 years ago
- Molecular structure optimizer☆125Updated 2 years ago
- A Toolbox for Post-Processing Quantum Chemical Wavefunction Data☆98Updated 4 years ago
- PySCF with auto-differentiation☆86Updated this week
- Python library for reading, writing, and converting computational chemistry file formats and generating input files.☆138Updated 3 months ago
- A machine learning environment for atomic-scale modeling in surface science and catalysis.☆116Updated last year
- Quantum computational chemistry based on TensorCircuit☆68Updated 2 months ago
- OpenFermion plugin to interface with the electronic structure package Psi4.☆87Updated 6 months ago
- Geometry optimization code that includes the TRIC coordinate system☆186Updated 2 weeks ago
- A data set of 20 million calculated off-equilibrium conformations for organic molecules☆98Updated 3 years ago
- Python library for real space quantum Monte Carlo☆93Updated this week
- ANI-1 neural net potential with python interface (ASE)☆223Updated last year
- GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…☆104Updated last year