aximthered
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My small cheatsheets for data science, ML, computer science and more.
Resources, Code, and Other things I use to teach Cheminformatics.
Distributed as part of the publication "Identifying Adhesion Properties at Si/Polymer Interfaces with ReaxFF"
Training code used to optimize reaxff force field (via LAMMPS)
Tool to generate ReaxFF force fields based on existing DataBase of parameters provided by SCM
This reaxFF LAMMPS script can be used to simulate the oxidation of nanomaterials, followed by cooling and thermal equilibration. Finally, tensile tests are carried out to determine how oxidation af…
Python package to construct free energy profiles from biased molecular simulation data using both log-likelihood maximization and self-consistent iteration approaches.
MATLAB code for unbiasing MCMC umbrella sampling simulations using Weighted Histogram Analysis Method
A code to calculate the Poisson potential in model supercapacitors with electrodes of various geometries.
Enhanced sampling methods for molecular dynamics simulations
Teaching materials for the applied machine learning course at Cornell Tech (online edition)
This git repository will serve as a companion to a forthcoming chapter in "Quantum Chemistry in the Age of Machine Learning"
From the Transistor to the Web Browser, a rough outline for a 12 week course
Text To Speech (TTS) GUI wrapper for NVIDIA Tacotron 2+Waveglow. For custom Twitch TTS.
Tacotron 2 - PyTorch implementation with faster-than-realtime inference
Data repository for "Computing chemical potentials of solutions from structure factors"
ETH course - Solving PDEs in parallel on GPUs
A list of philosophy books and resources.
👂 A multilingual text-to-speech (TTS) app for Windows
A portable and modern pixelart editor, written from scratch.
Animated sprite editor & pixel art tool -- Fork of the last GPLv2 commit of Aseprite
A collection of interactive notebooks to explain concepts of quantum mechanics and related topics
Implementation of finite field methods in LAMMPS
🔺😎 A curated list of awesome stuff to learn computer graphics