pyar
deepqmc
| pyar | deepqmc | |
|---|---|---|
| 1 | 3 | |
| 19 | 324 | |
| - | 0.3% | |
| 3.3 | 9.2 | |
| 6 months ago | 3 months ago | |
| Python | Python | |
| GNU General Public License v3.0 only | MIT License |
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For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
pyar
-
Help-Can't find library
What do you mean I can't install it? What did you try? Cuz I just found the repo and the instructions are pretty clear
deepqmc
- DeepQMC: Variational quantum Monte Carlo electrons, using deep neural networks
- PauliNet – Deep Quantum Monte Carlo
-
Artificial intelligence solves Schrödinger's equation
Github: https://github.com/deepqmc/deepqmc
What are some alternatives?
xyz2mol - Converts an xyz file to an RDKit mol object
deepchem - Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
octadist - A tool for calculating distortion parameters in coordination complexes.
thermoanalysis - Stand-alone thermochemistry in python for ORCA and Gaussian.
cclib - Parsers and algorithms for computational chemistry logfiles
denorm - Denormalized and aggregated tables for PostgreSQL.
nablaDFT - nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
psi4 - Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
pennylane - PennyLane is a cross-platform Python library for differentiable programming of quantum computers. Train a quantum computer the same way as a neural network.