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Heterogeneous programming in Julia
tools for extracting data from vector plots
Given a scholarly PDF, extract figures, tables, captions, and section titles.
A Python module for reading data from a plot provided as SVG file.
Voronoi diagrams in N dimensions using an improved raycasting method.
Natural neighbour interpolation methods for scattered data interpolation and derivative generation of planar point sets.
DelaunayTriangulation.jl: A Julia package for Delaunay triangulations and Voronoi tessellations in the plane
Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
Automated physical feature engineering for polymer informatics (APFEforPI), which has been utilized for the exploitation of high thermal conductivity amorphous polymers
An experimental package for loading and saving object in Python Pickle format.
Message Passing Neural Networks for Molecule Property Prediction
A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications
A place to store and edit the lab handbook for UCL courses that involve the use of open source tools in molecular docking.
Augmenting Polymer Datasets via Iterative Rearrangement
A curated list of practical guide resources of LLMs (LLMs Tree, Examples, Papers)
Use fourier transform to draw any pattern. Preview :
Framework and Language for Neurosymbolic Programming.
A list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.
A playbook for systematically maximizing the performance of deep learning models.
A comprehensive collection of KAN(Kolmogorov-Arnold Network)-related resources, including libraries, projects, tutorials, papers, and more, for researchers and developers in the Kolmogorov-Arnold N…
A deep learning framework for symbolic optimization.
A simulation package of phonon-phonon interaction related properties
Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors
Spectral Energy Density analysis of phonon modes in 2D materials
Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"