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Deep neural networks for density functional theory Hamiltonian.

Python 279 55 Updated Oct 7, 2024

Support Tools for Machine Learning VIVIDLY

Python 41 2 Updated Mar 22, 2023

A GUI interface for BoFire

Python 2 Updated Feb 16, 2024

COIN-OR Interior Point Optimizer IPOPT

C++ 1,567 290 Updated May 16, 2025

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

498 44 Updated May 23, 2025

Experimental design and (multi-objective) bayesian optimization.

Jupyter Notebook 287 32 Updated May 27, 2025

Bayesian Optimization and Design of Experiments

Python 362 57 Updated May 27, 2025

The 'dwsimopt' is a Python library that automates DWSIM simulations for process optimization.

Python 22 5 Updated Jan 9, 2023

[NeurIPS 2020] Differentiable Augmentation for Data-Efficient GAN Training

Python 1,309 176 Updated Sep 24, 2024

RadonPy is a Python library to automate physical property calculations for polymer informatics.

Python 177 28 Updated Feb 3, 2025

[IJCAI'22] Official code: Art Creation With Multi-Conditional StyleGANs

Python 7 1 Updated Aug 8, 2022

MatDeepLearn, package for graph neural networks in materials chemistry

Python 191 44 Updated Mar 20, 2023

Code of Feature Completion for Occluded Person Re-Identification (TPAMI 2021).

Python 31 3 Updated Sep 22, 2021

Python implementation of the IOU Tracker

Python 694 175 Updated Feb 18, 2020

run YOLO (object detection model) on various frameworks

Python 16 4 Updated Apr 9, 2021
24 1 Updated Sep 26, 2022
C++ 12 10 Updated Oct 22, 2021

Dataset of the paper "Cross-View Tracking for Multi-Human 3D Pose Estimation at over 100 FPS"

Python 146 17 Updated Jan 1, 2025

utilities for calculating bond dissociation energies

Python 35 9 Updated Jun 30, 2022

Vowpal Wabbit is a machine learning system which pushes the frontier of machine learning with techniques such as online, hashing, allreduce, reductions, learning2search, active, and interactive lea…

C++ 8,568 1,933 Updated Oct 17, 2024

molSimplify code

Python 189 54 Updated May 23, 2025

A deep learning solvation model

Python 11 6 Updated Aug 24, 2021
Python 108 55 Updated Oct 13, 2022

solve simple circle packing problem with demo drawed with opencv. [NP, combinatorial optimization, metaheuristic, tabu search, local search, visualization, opencv]

C++ 2 1 Updated Oct 15, 2014

Simple app to pack small circles into a larger circle

Java 3 Updated Apr 25, 2015

benchmark solutions for selected packing problems: circle, rectangle, cube, cuboid, polygon packings

31 4 Updated Jun 5, 2018

orbitmap (kdd2019)

Python 16 4 Updated May 19, 2020

Playground of Metric Learning with MNIST @pytorch. We provide ArcFace, CosFace, SphereFace, CircleLoss and visualization.

Jupyter Notebook 24 2 Updated Jun 11, 2021
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