muammar
I am a PhD in Theoretical Physical Chemistry who also likes coding.
Bristol-Myers-SquibbGreater Boston, Massachusetts
Pinned Repositories
awesome
My rc.lua for awesome
dotfiles
My config files for {vim, zsh}
frequencies
Extract IR frequencies from Gaussian output
heisenberg
Heisenberg: a program to the matrix calculation of the Heisenberg model in spin chains
huckel
A program to calculate electronic spectrum at tight binding level
mkchromecast
Cast macOS and Linux Audio/Video to your Google Cast and Sonos Devices
ml4chem
ML4Chem: Machine Learning for Chemistry and Materials
muammar.github.io
My professional website.
muammar.github.io.old
My website: https://muammar.me
muammar's Repositories
muammar/mkchromecast
Cast macOS and Linux Audio/Video to your Google Cast and Sonos Devices
muammar/ml4chem
ML4Chem: Machine Learning for Chemistry and Materials
muammar/awesome
My rc.lua for awesome
muammar/heisenberg
Heisenberg: a program to the matrix calculation of the Heisenberg model in spin chains
muammar/muammar.github.io.old
My website: https://muammar.me
muammar/dotfiles
My config files for {vim, zsh}
muammar/intcourse
muammar/muammar.github.io
My professional website.
muammar/alphafold
Open source code for AlphaFold.
muammar/annoy
Approximate Nearest Neighbors in C++/Python optimized for memory usage and loading/saving to disk
muammar/AVUC
Code to accompany the paper 'Improving model calibration with accuracy versus uncertainty optimization'.
muammar/cheminformatics-toolbox
muammar/chemprop
Message Passing Neural Networks for Molecule Property Prediction
muammar/generative_IDPs
Autoencoder based model to mine new conformations of IDPs
muammar/hgraph2graph
Hierarchical Generation of Molecular Graphs using Structural Motifs
muammar/latent-gan
An implementation of the Latent Gan as discribed in the publication [cite]
muammar/Leticia-maria
Config files for my GitHub profile.
muammar/lttc
Sources for LTTC website
muammar/Machine-Learning-Books-With-Python
Chapter by Chapter notes, exercises and code for a variety of machine learning books using Python
muammar/MegaMolBART
A deep learning model for small molecule drug discovery and cheminformatics based on SMILES
muammar/muammar
muammar/pytorch-classification-uncertainty
This repo contains a PyTorch implementation of the paper: "Evidential Deep Learning to Quantify Classification Uncertainty"
muammar/quantile-forest
Quantile Regression Forests compatible with scikit-learn.
muammar/Raspberry-Pi-Automated-WiFi-Access-Point
An automated WiFI Access Point setup script for Raspberry Pis. Turns your Pi into an access point that forwards traffic through the ethernet port!
muammar/reliability-diagrams
Reliability diagrams visualize whether a classifier model needs calibration
muammar/rsync-time-backup
Time Machine style backup with rsync.
muammar/uncertainty-toolbox
muammar/uncertainty-toolbox-dev
Uncertainty Toolbox: a Python toolbox for predictive uncertainty quantification, calibration, metrics, and visualization
muammar/vae_network
Try to recreate VAE implementation from project paper using pytorch
muammar/vimfiles
These are my vim configurations and plugins