Pinned Repositories
accumulator
Cryptographic accumulators in Rust.
ace
Admission to Candidacy Exam
assaytools
Modeling and Bayesian analysis of fluorescence and absorbance assays.
bayesian-forcefields
General Framework for Bayesian Parameterization of Force Fields
bqff
Bayesian quadrature and optimization with forcefields
pgrinaway's Repositories
pgrinaway/bqff
Bayesian quadrature and optimization with forcefields
pgrinaway/accumulator
Cryptographic accumulators in Rust.
pgrinaway/ace
Admission to Candidacy Exam
pgrinaway/assaytools
Modeling and Bayesian analysis of fluorescence and absorbance assays.
pgrinaway/bayesian-forcefields
General Framework for Bayesian Parameterization of Force Fields
pgrinaway/boondock
Docker daemon API in Rust
pgrinaway/cellfree-expression
Tools for cell-free expression of proteins
pgrinaway/conda-dev-recipes
Conda development recipes (*-dev packages), built nightly by travis cron
pgrinaway/deepchem
Deep-learning models for Drug Discovery and Quantum Chemistry
pgrinaway/density-measurements
Density measurements made with the Chodera lab Mettler-Toledo DM40 and SC30 sample changer
pgrinaway/docker-py
A Python library for the Docker Engine API
pgrinaway/edward
A library for probabilistic modeling, inference, and criticism. Deep generative models, variational inference. Runs on TensorFlow.
pgrinaway/examol
Strategies for sampling over chemical space
pgrinaway/firstwebsite
first coding experience
pgrinaway/gbff
Tools for Bayesian forcefield development
pgrinaway/gpu-ci
Basic experimentation with using ECS w/GPUs for CI
pgrinaway/jsnark
A Java library for writing circuits/constraint systems for zk-SNARKs.
pgrinaway/lambci
A continuous integration system built on AWS Lambda
pgrinaway/mcmc-expectations
Tools for calculating expectations in a consistent way from MCMC samples
pgrinaway/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
pgrinaway/openmmmcmc
MCMC sampler classes for OpenMM
pgrinaway/perses
Experiments with expanded ensembles to explore chemical space
pgrinaway/Plonky3
A toolkit for polynomial IOPs (PIOPs)
pgrinaway/PyExZ3
Python Exploration with Z3
pgrinaway/pytorch_fft
PyTorch wrapper for FFTs
pgrinaway/RDKitjs
wrapping RDKit to js using emscritpen
pgrinaway/recurrentjs
Deep Recurrent Neural Networks and LSTMs in Javascript. More generally also arbitrary expression graphs with automatic differentiation.
pgrinaway/webppl
Probabilistic programming for the web
pgrinaway/winterfell
A STARK prover and verifier for arbitrary computations
pgrinaway/yank
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.