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Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems
Implementation of a machine learned density functional
Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
A library for using machine-learned exchange-correlation functionals for density-functional theory
Must-read Papers on Physics-Informed Neural Networks.
Physics-Informed Neural networks for Advanced modeling
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performanc…
Wavelet Neural Operator for solving parametric partialdifferential equations in computational mechanics problems
Differentiable fast wavelet transforms in PyTorch with GPU support.
A git repository of the BigDFT launchpad project. (For feature development)
Wavelet scattering transforms in Python with GPU acceleration
1D,2D,3D Discrete Wavelet Tansform (DWT) implemented in Pytorch
Pytorch implementation of 2D Discrete Wavelet (DWT) and Dual Tree Complex Wavelet Transforms (DTCWT) and a DTCWT based ScatterNet
Here you can get all the Quantum Machine learning Basics, Algorithms ,Study Materials ,Projects and the descriptions of the projects around the web
Differentiable ODE solvers with full GPU support and O(1)-memory backpropagation.
EDGE: Efficient and Degree-Guided Graph Generation via Discrete Diffusion Modeling
DoWhy is a Python library for causal inference that supports explicit modeling and testing of causal assumptions. DoWhy is based on a unified language for causal inference, combining causal graphic…
PointNet and PointNet++ implemented by pytorch (pure python) and on ModelNet, ShapeNet and S3DIS.
PointNet++: Deep Hierarchical Feature Learning on Point Sets in a Metric Space
Aligning Large Language Models with Human: A Survey
BeaverTails is a collection of datasets designed to facilitate research on safety alignment in large language models (LLMs).
Fast and memory-efficient exact attention
RewardBench: the first evaluation tool for reward models.