Pinned Repositories
benchmarking_platform_p23
Updated rdkit benchmarking platform of Riniker and Landrum
botorch
Bayesian optimization in PyTorch
chain_joiner
Package to fix chain breaks in PDB files
chop_chain_joiner
Attempts to fix some problems in PDB files
DeOldify
A Deep Learning based project for colorizing and restoring old images
IVY_league_football_elo
Implemented an Elo Rating system using 538's methodology that I used to predict outcome of Ivy League football
LigParGen
Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.
random
A collection of python notebooks exploring random topics
ratings_methods
A collection of python notebooks exploring popular methods for rating sports teams (and other things)
YUSAG_football_model
YUSAG model for both FBS and FCS rankings
mc-robinson's Repositories
mc-robinson/LigParGen
Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.
mc-robinson/benchmarking_platform_p23
Updated rdkit benchmarking platform of Riniker and Landrum
mc-robinson/chain_joiner
Package to fix chain breaks in PDB files
mc-robinson/random
A collection of python notebooks exploring random topics
mc-robinson/botorch
Bayesian optimization in PyTorch
mc-robinson/DeOldify
A Deep Learning based project for colorizing and restoring old images
mc-robinson/RMD_colab_notebooks
Code to replicate validation experiments
mc-robinson/validating_validation_supp_info
Code to accompany preprint https://arxiv.org/abs/1905.11681
mc-robinson/YUSAG_Hockey_Models
YUSAG Hockey Models
mc-robinson/altair
Declarative statistical visualization library for Python
mc-robinson/choptools
Tools for using chop to preprocess a protein
mc-robinson/CompStats
Code for a workshop on statistical interference using computational methods in Python.
mc-robinson/courses
fast.ai Courses
mc-robinson/covid-submissions-viz
T-SNE plotting of COVID submissions to covid.postera.ai/covid
mc-robinson/dgl
Python package built to ease deep learning on graph, on top of existing DL frameworks.
mc-robinson/drifter_ml
A machine learning testing framework for sklearn and pandas. The goal is to help folks assess whether things have changed over time.
mc-robinson/fastai
The fastai deep learning library, plus lessons and and tutorials
mc-robinson/FESetup
FESetup for automation of alchemical free energy simulation
mc-robinson/gpytorch
A highly efficient and modular implementation of Gaussian Processes in PyTorch
mc-robinson/jekyll-now
Build a Jekyll blog in minutes, without touching the command line.
mc-robinson/ligpargen_to_amber_tests
mc-robinson/mc-robinson.github.io
mc-robinson/ml_notebooks
mc-robinson/mygcn
A simple implementation of a graph convolutional network (gcn) for chemistry
mc-robinson/neural-fingerprint
Convolutional nets which can take molecular graphs of arbitrary size as input.
mc-robinson/polyreg_vs_dnn_experiment
Code to accompany blog post http://enthusiasmcurbed.github.io/polyreg
mc-robinson/presentations
A collection of my past presentations in various topics
mc-robinson/pytorch
Tensors and Dynamic neural networks in Python with strong GPU acceleration
mc-robinson/sa_html_viewer
mc-robinson/visualizing-horizontal-wagers-d3-sankey
Pick 4 "Sankey" Data Visualization with End-to-End Highlighting