smcantab
Computational and statistical physicist at New York University
New York UniversityNew York, NY
Pinned Repositories
pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR)
nested_sampling
python based implementation of the nested sampling algorithm
PyCG_DESCENT
Python wrapper for the Hager and Zang CG_DESCENT algorithm
mcpele
Monte Carlo and parallel tempering routines built on the pele foundation
pele
Python energy landscape explorer
chen3201_recitations
Scripts from UMN CHEN3201 recitations
chen5595-fall2020
CHEN 5595: Data Driven Discovery for the Chemical Sciences, Fall 2020
pele
Python energy landscape explorer
sens
Highly modular, parallel implementation of Superposition Enhanced Nested Sampling
smcantab's Repositories
smcantab/sens
Highly modular, parallel implementation of Superposition Enhanced Nested Sampling
smcantab/chen3201_recitations
Scripts from UMN CHEN3201 recitations
smcantab/chen5595-fall2020
CHEN 5595: Data Driven Discovery for the Chemical Sciences, Fall 2020
smcantab/pele
Python energy landscape explorer
smcantab/Examples
Many examples of many features of many software packages
smcantab/histogram_reweighting
tools for reweighting histograms from parallel tempering computations
smcantab/learnscapes
Tools for the analysis of deep learning from an energy landscape perspective.
smcantab/nested_sampling
python based implementation of the nested sampling algorithm
smcantab/phd-thesis-template
A LaTeX / XeLaTeX / LuaLaTeX PhD thesis template for Cambridge University Engineering Department (CUED)
smcantab/pyhep2020-autodiff-tutorial
smcantab/pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR)
smcantab/smcantab.github.io
A beautiful Jekyll theme for academics
smcantab/tensorflow
Computation using data flow graphs for scalable machine learning
smcantab/You-Dont-Know-JS
A JavaScript book series launched through Kickstarter