Peter St. John pstjohn

YSI Prediction and Analysis code

Flattened jupyter notebooks containing the analysis workflow in the manuscript A quantitative model for the prediction of sooting tendency from molecular structure.

Full repository (with data files) is available at pstjohn/ysi_qsar_energy_fuels

	2020-06-01 08:14:35.016515: I tensorflow/stream_executor/platform/default/dso_loader.cc:44] Successfully opened dynamic library libcudart.so.10.2
	2020-06-01 08:14:36.282819: I tensorflow/stream_executor/platform/default/dso_loader.cc:44] Successfully opened dynamic library libnvinfer.so.7
	2020-06-01 08:14:36.284155: I tensorflow/stream_executor/platform/default/dso_loader.cc:44] Successfully opened dynamic library libnvinfer_plugin.so.7
	2020-06-01 08:14:38.383051: I tensorflow/stream_executor/platform/default/dso_loader.cc:44] Successfully opened dynamic library libcuda.so.1
	2020-06-01 08:14:38.808560: I tensorflow/core/common_runtime/gpu/gpu_device.cc:1558] Found device 0 with properties:
	pciBusID: 0004:04:00.0 name: Tesla V100-SXM2-16GB computeCapability: 7.0
	coreClock: 1.53GHz coreCount: 80 deviceMemorySize: 15.75GiB deviceMemoryBandwidth: 836.37GiB/s
	2020-06-01 08:14:38.811250: I tensorflow/core/common_runtime/gpu/gpu_device.cc:1558] Found device 1 with properties:
	pciBusID: 0004:05:00.0 name: Tesla V100-

	### MATPLOTLIBRC FORMAT

	# This is a sample matplotlib configuration file - you can find a copy
	# of it on your system in
	# site-packages/matplotlib/mpl-data/matplotlibrc. If you edit it
	# there, please note that it will be overwritten in your next install.
	# If you want to keep a permanent local copy that will not be
	# overwritten, place it in HOME/.matplotlib/matplotlibrc (unix/linux
	# like systems) and C:\Documents and Settings\yourname\.matplotlib
	# (win32 systems).

	\usepackage{color}
	\usepackage{longtable}
	\usepackage{ragged2e}
	\usepackage{graphicx}
	\usepackage{textcomp}
	\usepackage{booktabs}
	\usepackage{bbding}
	\usepackage{bibentry}
	\usepackage{setspace}
	\renewcommand\cite{\bibentry}