Beast code in Giters

Patrick Grinaway's repositories

bqff

Bayesian quadrature and optimization with forcefields

Language:Python2 3 2

accumulator

Cryptographic accumulators in Rust.

Language:RustMIT010

ace

Admission to Candidacy Exam

Language:TeX010

assaytools

Modeling and Bayesian analysis of fluorescence and absorbance assays.

Language:PythonLGPL-2.1010

bayesian-forcefields

General Framework for Bayesian Parameterization of Force Fields

010

boondock

Docker daemon API in Rust

Language:Rust010

cellfree-expression

Tools for cell-free expression of proteins

Language:Python010

conda-dev-recipes

Conda development recipes (*-dev packages), built nightly by travis cron

Language:Python010

deepchem

Deep-learning models for Drug Discovery and Quantum Chemistry

Language:PythonNOASSERTION010

density-measurements

Density measurements made with the Chodera lab Mettler-Toledo DM40 and SC30 sample changer

Language:Python010

docker-py

A Python library for the Docker Engine API

Language:PythonApache-2.0010

edward

A library for probabilistic modeling, inference, and criticism. Deep generative models, variational inference. Runs on TensorFlow.

Language:Jupyter NotebookNOASSERTION010

examol

Strategies for sampling over chemical space

010

firstwebsite

first coding experience

020

gbff

Tools for Bayesian forcefield development

Language:Python010

gpu-ci

Basic experimentation with using ECS w/GPUs for CI

01 3

jsnark

A Java library for writing circuits/constraint systems for zk-SNARKs.

Language:JavaMIT010

lambci

A continuous integration system built on AWS Lambda

Language:JavaScriptMIT010

mcmc-expectations

Tools for calculating expectations in a consistent way from MCMC samples

02 1

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

Language:C++010

openmmmcmc

MCMC sampler classes for OpenMM

Language:Python010

perses

Experiments with expanded ensembles to explore chemical space

Language:PythonMIT010

Plonky3

A toolkit for polynomial IOPs (PIOPs)

Language:RustApache-2.0000

PyExZ3

Python Exploration with Z3

Language:HTMLNOASSERTION010

pytorch_fft

PyTorch wrapper for FFTs

Language:PythonApache-2.0010

RDKitjs

wrapping RDKit to js using emscritpen

Language:HTMLBSD-3-Clause010

recurrentjs

Deep Recurrent Neural Networks and LSTMs in Javascript. More generally also arbitrary expression graphs with automatic differentiation.

Language:HTML010

webppl

Probabilistic programming for the web

Language:JavaScriptNOASSERTION010

winterfell

A STARK prover and verifier for arbitrary computations

Language:RustMIT010

yank

An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.

Language:PythonMIT010