Ecosyste.ms: Repos
An open API service providing repository metadata for many open source software ecosystems.
GitHub topics: schrodinger
rebelot/schrodinger_utils
Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.
Language: Python - Size: 448 KB - Last synced: 15 days ago - Pushed: 15 days ago - Stars: 15 - Forks: 7
rcarcasses/schrodinger
Solves one dimensional Schrodinger problem using several methods.
Language: C++ - Size: 29.3 KB - Last synced: 28 days ago - Pushed: over 6 years ago - Stars: 3 - Forks: 1
chienweiluo/Schrodinger.py
薛丁格方程式練習
Language: Python - Size: 2.93 KB - Last synced: about 1 month ago - Pushed: almost 7 years ago - Stars: 0 - Forks: 0
savowe/pytalises
Easy to use Schrödinger equation solver
Language: Python - Size: 11.6 MB - Last synced: 29 days ago - Pushed: over 2 years ago - Stars: 6 - Forks: 0
CyberCatQ/pyCADD
A python package for computer-aid drug design.
Language: Python - Size: 8.11 MB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 27 - Forks: 8
arnav-kr/SchrodingersReaction
The Schrödinger's Reaction | Like or Dislike is just the matter of perspective
Language: JavaScript - Size: 83 KB - Last synced: 27 days ago - Pushed: about 2 years ago - Stars: 2 - Forks: 0
scipion-chem/scipion-chem-schrodinger
Scipion framework plugin for the use of tools provided by Schrodinger software suite
Language: Python - Size: 558 KB - Last synced: 2 months ago - Pushed: 2 months ago - Stars: 0 - Forks: 2
ericchansen/q2mm
Quantum to Molecular Mechanics (Q2MM)
Language: Python - Size: 7.19 MB - Last synced: about 2 months ago - Pushed: about 1 year ago - Stars: 22 - Forks: 28
quantaosun/Zinc-Million
Open-Sourced. Millions of small molecules will be downloaded from the ZINC database in 3D SDF file format, with one click, to get ready for a large scale virtual screening for certain protein target.
Language: Jupyter Notebook - Size: 2.53 MB - Last synced: 28 days ago - Pushed: 5 months ago - Stars: 8 - Forks: 4
UAMCAntwerpen/2040FBDBIC
This repository contains all the course materials that are used in the "Chemo-informatics and computational drug design" course teaches at the University of Antwerp (Belgium)
Language: Jupyter Notebook - Size: 152 MB - Last synced: 6 months ago - Pushed: 6 months ago - Stars: 4 - Forks: 2
nykolai-d/schrodinger
The Schrodinger equation and other cool physics concepts explained.
Language: TeX - Size: 231 KB - Last synced: 7 months ago - Pushed: almost 3 years ago - Stars: 1 - Forks: 0
LaurentNevou/Q_Schrodinger1D_ZB
1D Schroedinger solver in semiconductor with non-parabolicity in Zinc-Blende
Language: MATLAB - Size: 69.3 KB - Last synced: 7 months ago - Pushed: about 3 years ago - Stars: 6 - Forks: 0
LaurentNevou/Q_Schrodinger1D_1band_nonregular
1D Schrodinger solver with effective mass on NON-REGULAR GRID
Language: MATLAB - Size: 68.4 KB - Last synced: 7 months ago - Pushed: about 3 years ago - Stars: 4 - Forks: 0
LaurentNevou/Q_SchrodingerPoisson1D_demo
Schrodinger-Poisson solver in 1D demonstrator
Language: MATLAB - Size: 288 KB - Last synced: 7 months ago - Pushed: about 3 years ago - Stars: 22 - Forks: 1
LaurentNevou/Q_Schrodinger3D_demo
3D Time independent Schroedinger equation solver
Language: MATLAB - Size: 924 KB - Last synced: 7 months ago - Pushed: about 3 years ago - Stars: 12 - Forks: 3
LaurentNevou/Q_SchrodingerPoisson1D_Dirichlet_demo
Schrodinger-Poisson solver with Dirichlet boundary condition
Language: MATLAB - Size: 748 KB - Last synced: 7 months ago - Pushed: about 3 years ago - Stars: 5 - Forks: 0
LaurentNevou/Q_Schrodinger1D_demo
1D Time independent Schroedinger equation solver
Language: MATLAB - Size: 438 KB - Last synced: 7 months ago - Pushed: about 3 years ago - Stars: 12 - Forks: 0
LaurentNevou/Q_Schrodinger2D_FEM_sq
2D time independent Schroedinger equation solver on inhomogeneous grid
Language: MATLAB - Size: 1.56 MB - Last synced: 7 months ago - Pushed: about 3 years ago - Stars: 4 - Forks: 0
LaurentNevou/Q_kp_multiband_ZB_strain
Computes the electronic band structure of bulk ZB semiconductor with k.p models WITH STRAIN
Language: MATLAB - Size: 73.2 KB - Last synced: 7 months ago - Pushed: about 3 years ago - Stars: 11 - Forks: 1
LaurentNevou/Q_SchrodingerPoisson1D_CB
Schrodinger-Poisson solver in 1D in the conduction band
Language: MATLAB - Size: 362 KB - Last synced: 7 months ago - Pushed: over 2 years ago - Stars: 7 - Forks: 0
LaurentNevou/Q_Schrodinger1D_multiband_ZB
1D Schroedinger solver in semiconductor with non-parabolicity
Language: MATLAB - Size: 42 KB - Last synced: 7 months ago - Pushed: over 2 years ago - Stars: 10 - Forks: 2
LaurentNevou/Q_Schrodinger2D_demo
2D Time independent Schroedinger equation solver
Language: MATLAB - Size: 784 KB - Last synced: 7 months ago - Pushed: about 3 years ago - Stars: 22 - Forks: 10
LaurentNevou/Q_Schrodinger1D_1band
1D Schroedinger solver in semiconductor with effective mass
Language: MATLAB - Size: 69.3 KB - Last synced: 7 months ago - Pushed: about 3 years ago - Stars: 10 - Forks: 1
LaurentNevou/Q_kp_multiband_WZ_strain
Computes the electronic band structure of bulk Wurtzite semiconductors
Language: MATLAB - Size: 275 KB - Last synced: 7 months ago - Pushed: about 3 years ago - Stars: 6 - Forks: 0
LaurentNevou/Q_band_ZB_3dplot
Computes and plot the electrons distribution in the ZB Brillouin zone
Language: MATLAB - Size: 181 KB - Last synced: 7 months ago - Pushed: over 2 years ago - Stars: 4 - Forks: 1
LaurentNevou/Q_band_ZB
Computes the electronic band structure of Zinc Blende semiconductor
Language: MATLAB - Size: 4.12 MB - Last synced: 7 months ago - Pushed: over 2 years ago - Stars: 12 - Forks: 2
LaurentNevou/Q_kp_multiband_ZB
Computes the electronic band structure of bulk ZB semiconductor with various k.p models
Language: MATLAB - Size: 97.7 KB - Last synced: 7 months ago - Pushed: about 3 years ago - Stars: 11 - Forks: 7
yasminshamsudin/schrodinger
Schrodinger molecular modeling suite - tutorials and scripts
Language: Shell - Size: 3.54 MB - Last synced: 7 months ago - Pushed: almost 3 years ago - Stars: 3 - Forks: 0
espottesmith/MPcat
An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution of Jaguar and AutoTS calculations for molecular thermodynamics and kinetics.
Language: Python - Size: 6.06 MB - Last synced: 6 months ago - Pushed: 6 months ago - Stars: 11 - Forks: 3
dongjae-shin/time_propagator
code to simulate the time propagation of a wavefunction under a defined potential. scientific integrity has not been validated.
Language: Python - Size: 4.61 MB - Last synced: 8 months ago - Pushed: almost 7 years ago - Stars: 0 - Forks: 0
XPlaGo/PHASES
Pilot, Hasty, but Amazing Schrodinger Equation Solution
Language: Python - Size: 4.49 MB - Last synced: 9 months ago - Pushed: about 1 year ago - Stars: 1 - Forks: 0
rafaariza/Orbitales
Python script to visualize spherical harmonics.
Language: Python - Size: 110 KB - Last synced: 9 months ago - Pushed: almost 4 years ago - Stars: 3 - Forks: 0
catseye/Schroedingers-Game-of-Life
Conway's Game of Life meets Schrödinger's Cat
Language: JavaScript - Size: 25.4 KB - Last synced: 10 months ago - Pushed: 10 months ago - Stars: 6 - Forks: 0
artmenlope/double-slit-2d-schrodinger
This repository contains Python 3 scripts for simulating the passage of a 2D Gaussian wave packet through a double slit. For this, the 2D Schrödinger equation is solved using the Crank-Nicolson numerical method.
Language: Python - Size: 13.8 MB - Last synced: 10 months ago - Pushed: almost 2 years ago - Stars: 10 - Forks: 1
c0rychu/SchrodingerEq_1D_tutorial
Solving Schrodinger Equation Numerically
Language: Jupyter Notebook - Size: 40.3 MB - Last synced: about 1 year ago - Pushed: almost 2 years ago - Stars: 29 - Forks: 12
jmcelve2/cheshire
Solve the Schrodinger equation for a variety of 1D and 2D potentials.
Language: Python - Size: 331 KB - Last synced: about 1 year ago - Pushed: over 5 years ago - Stars: 7 - Forks: 3
mlxd/GPUE 📦
GPU Gross-Pitaevskii Equation numerical solver for rapidly rotating Bose-Einstein condensates. Further development and maintenance from https://github.com/GPUE-group/GPUE
Language: C++ - Size: 2.94 MB - Last synced: 2 months ago - Pushed: over 7 years ago - Stars: 15 - Forks: 14
Azercoco/Python-2D-Simulation-of-Schrodinger-Equation
Une simulation de l'évolution d'un paquet d'onde gaussien
Language: Python - Size: 6.63 MB - Last synced: about 1 year ago - Pushed: about 6 years ago - Stars: 44 - Forks: 6
bsc-quantic/Gato.jl
Schrödinger-like simulator of quantum computers
Language: Julia - Size: 39.1 KB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 0 - Forks: 0
SchifferLab/ROBUST
Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.
Language: Python - Size: 46 MB - Last synced: 12 months ago - Pushed: over 1 year ago - Stars: 10 - Forks: 4
anuwu/Particle-in-a-Box
Solving Schrodinger's Equation with a Neural Network using numerical integration and autograd. Check https://arxiv.org/abs/2104.04795
Language: Jupyter Notebook - Size: 16.1 MB - Last synced: about 1 year ago - Pushed: about 3 years ago - Stars: 0 - Forks: 0
aromanro/Scattering
Scattering on a Lennard-Jones potential, cross-section computation.
Language: C++ - Size: 83 KB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 7 - Forks: 2
DanShai/python-physics-stuffs
physics and science projects in python
Language: Python - Size: 16.1 MB - Last synced: 4 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0
G4te-Keep3r/SchrodingersCatCoin Fork of dogecoin/dogecoin
every transaction has a 50/50 chance of dying. MORE HERE AS DETAILS ARE IRONED OUT
Size: 157 MB - Last synced: about 1 year ago - Pushed: almost 3 years ago - Stars: 0 - Forks: 0
npny/rust-qm-demo
Rust simulation of the time-dependent, single-particle Schrödinger equation
Language: Rust - Size: 2.93 KB - Last synced: about 1 year ago - Pushed: about 8 years ago - Stars: 0 - Forks: 0
