R package for computing spatial position models
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Updated
Sep 13, 2023 - R
R package for computing spatial position models
Differentiable molecular simulation of proteins with a coarse-grained potential
calculate madelung potential from VASP CONTCAR file
Government Ownership of Banks is a research project supported by the Young Research Fellow Program of Future Forum. This study focuses on potential agricultural products and factors that public banks should subsidize.
Includes implementation of PRM,RRT and Potential Field Planner(Self implementaiton)
A PyTorch Example of Potential Fitting
A oceanic physics simulation demonstrating graph and artificial potential field based path planners.
Fits an anlalytic potential energy curve in order to reproduce spectroscopic or ab-initio data
Monte Carlo program for simulation of multicomponent systems using arbitrary potential models
Program to vizualize electric potential, its gradient (electric field), and equipotential contours due to two opposite charges
This repository contains some Mathematica notebooks for the calculation of the resurgent transeries of the quantum mechanical quartic double-well potential.
Program to vizualize electric potential, its gradient (electric field) and equipotential contours due to two equal charges
Plot individual potential functions that comprise force fields. Ideal for presentations. Includes energy terms for bonds (harmonic), angles (harmonic), proper torsion (periodic cosine), improper torsion (harmonic), van der Waals (Lennard-Jones), electrostatics (Coulomb), and the Morse potential.
Standardized parameterization of sinoatrial node myocyte action potentials
Master thesis: JAT (Jraph Attention Networks), a deep learning architecture to predict the potential energy and forces of molecules. Adapts Graph Attention Networks (GATv2) within the Message Passing Neural Networks framework to computational chemistry in JAX
A suite of programs for reconstructing the exact Kohn-Sham potentials based on accurate densities.
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