qmlcode / qmlLinks
QML: Quantum Machine Learning
☆207Updated 11 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☆75Updated last 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
- A python package for exploring end-to-end chemistry workflows on quantum computers and simulators.☆131Updated 3 months ago
- Combining Psi4 and Numpy for education and development.☆380Updated last year
- 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.☆113Updated 3 weeks ago
- Deep Tensor Neural Network☆77Updated 8 years ago
- Quantum chemistry program executor and IO standardizer (QCSchema).☆191Updated this week
- Tensorflow + Molecules = TensorMol☆275Updated 4 years ago
- A Schema for Quantum Chemistry☆101Updated 2 years ago
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆176Updated last month
- PySCF with auto-differentiation☆87Updated this week
- ☆55Updated last year
- A distributed compute and database platform for quantum chemistry.☆155Updated 2 weeks ago
- 🎉 Simple restricted Hartree-Fock code in Python☆36Updated 6 years ago
- ☆29Updated 10 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆71Updated 3 months ago
- Quantum computational chemistry based on TensorCircuit☆70Updated 4 months ago
- Deep learning quantum Monte Carlo for electrons in real space☆399Updated 3 months ago
- Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.☆34Updated 2 years ago
- Files used in TMP Chem videos on computational chemistry☆234Updated 5 years ago
- ANI-1 neural net potential with python interface (ASE)☆224Updated last year
- A machine learning environment for atomic-scale modeling in surface science and catalysis.☆116Updated last year
- Molecular structure optimizer☆126Updated 2 years ago
- a package for developing machine learning-based chemically accurate energy and density functional models☆113Updated 6 months ago
- OpenFermion plugin to interface with the electronic structure package Psi4.☆88Updated 3 weeks ago
- A data set of 20 million calculated off-equilibrium conformations for organic molecules☆99Updated 3 years ago
- Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)☆118Updated 3 years ago
- The mainline development distribution for QWalk☆35Updated 6 years ago
- Python library for real space quantum Monte Carlo☆95Updated last week