pstjohn
Machine Learning Engineer at NVIDIA working on digital biology. Ex-project lead and senior scientist at the National Renewable Energy Laboratory.
@NVIDIAGolden, CO
Pinned Repositories
alfabet
Machine learning predictions of bond dissociation energy
graph-env
Reinforcement learning for combinatorial optimization over directed graphs
nfp
Keras layers for end-to-end learning with rdkit and pymatgen
bde
utilities for calculating bond dissociation energies
bde_model_methods
Code and data to replicate the figures in doi:10.26434/chemrxiv.10052048
bde_prediction_flask
Dockerized web service for serving tensorflow 2 BDE predictions
circadian-methods
Method files for the analysis of circadian rhythms
cv
vue3 cv/resume served at pcstj.com/cv
d3flux
D3.js based visualizations of cobrapy metabolic models
dFBA
Dynamic Flux Balance analysis in Python
pstjohn's Repositories
pstjohn/bde
utilities for calculating bond dissociation energies
pstjohn/ysi_prediction_flask
A flask app to support ysi prediction online
pstjohn/YSIs_for_prediction
Updated csv of experimentally-determined YSIs at Yale University by the Pfefferle group
pstjohn/alfabet-models
Repository to host binary data files for alfabet models
pstjohn/cv
vue3 cv/resume served at pcstj.com/cv
pstjohn/Megatron-LM
Ongoing research training transformer models at scale
pstjohn/rustlings
:crab: Small exercises to get you used to reading and writing Rust code!
pstjohn/bde_prediction_flask
Dockerized web service for serving tensorflow 2 BDE predictions
pstjohn/accelerate
🚀 A simple way to launch, train, and use PyTorch models on almost any device and distributed configuration, automatic mixed precision (including fp8), and easy-to-configure FSDP and DeepSpeed support
pstjohn/alphafold
Open source code for AlphaFold.
pstjohn/aoc2023
rust solutions for AOC 2023
pstjohn/bionemo-framework
BioNeMo Framework: For building and adapting AI models in drug discovery at scale
pstjohn/bionemo-testing
pstjohn/crystal-gnn-nfp-0.3
pstjohn/importlib_resources
Backport of the importlib.resources module
pstjohn/mkdocs-gen-files
MkDocs plugin to programmatically generate documentation pages during the build
pstjohn/NeMo
A scalable generative AI framework built for researchers and developers working on Large Language Models, Multimodal, and Speech AI (Automatic Speech Recognition and Text-to-Speech)
pstjohn/pandera
A light-weight, flexible, and expressive statistical data testing library
pstjohn/pstjohn
Profile README
pstjohn/pstjohn.github.io
placeholder home page
pstjohn/pytorch_cluster-feedstock
A conda-smithy repository for pytorch_cluster.
pstjohn/rdkit-autocxx-repro
pstjohn/rdkit-rs
RDKit Made Idiomatic for Rust
pstjohn/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
pstjohn/torch_gvp
pstjohn/transformer-engine-feedstock
A conda-smithy repository for transformer-engine.
pstjohn/TransformerEngine
A library for accelerating Transformer models on NVIDIA GPUs, including using 8-bit floating point (FP8) precision on Hopper and Ada GPUs, to provide better performance with lower memory utilization in both training and inference.
pstjohn/transformers
🤗 Transformers: State-of-the-art Machine Learning for Pytorch, TensorFlow, and JAX.
pstjohn/uv-torchvision-repro
small repro of uv lock resulting in unsatisfiable environment
pstjohn/webdataset
A high-performance Python-based I/O system for large (and small) deep learning problems, with strong support for PyTorch.