Peter St. John's repositories
bde_model_methods
Code and data to replicate the figures in doi:10.26434/chemrxiv.10052048
advent2020
Code for Advent of Code 2020 challenges
ampl-mp-feedstock
A conda-smithy repository for ampl-mp.
bde_tf2
BDE prediction using tensorflow 2.x
bert-for-tf2
A Keras TensorFlow 2.0 implementation of BERT, ALBERT and adapter-BERT.
casadi-feedstock
A conda-smithy repository for casadi.
cclib
Parsers and algorithms for computational chemistry logfiles
cobrapy
COBRApy is a package for constraints-based modeling of biological networks
cobrapy-website
opencobra.github.io/cobrapy
crystal-gnn
Work in progress on graph neural networks for crystal energy prediction
edd-utils
A set of utilities for working with Experiment Data Depot instances from python and the command line.
emll-docker
Docker recipe for pymc3, theano, and the emll library
fairseq
Facebook AI Research Sequence-to-Sequence Toolkit written in Python.
faiss
A library for efficient similarity search and clustering of dense vectors.
fragdecomp
Methods for bayesian regression of molecules from their carbon fragments
fuel-d-nrel-index-calculations
Calculation of the NREL index for Fuel D blends
ipopt-feedstock
A conda-smithy repository for ipopt.
keras
Deep Learning for humans
nvidia-faiss
dockerfile and environment for a cuda / conda based faiss image
opv_ml_models
Python scripts and resulting trained models for optoelectronic property predictions
reveal.js
The HTML Presentation Framework
sentencepiece
Unsupervised text tokenizer for Neural Network-based text generation.
Sphinx-Autosummary-Recursion
Demonstrating the new automatic package recursion facility in sphinx.ext.autosummary version 3.1
tensorflow
An Open Source Machine Learning Framework for Everyone