samarjeet

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National Institute of Health

North Bethesda, MD

Samarjeet's repositories

hpka

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apocharmm

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alchemical-best-practices

Best practice document for alchemical free energy calculations going to livecoms journal

Language:Jupyter NotebookCC-BY-4.0000

apoCHARMM-workshop

A series of tutorials for apoCHARMM workshop

000

basic_simulation_training

A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations (oriented towards molecular dynamics (MD)), providing some training itself and linking out to other helpful information elsewhere. The intent is that this provide information on the prerequisites which will be required for understanding/following many of the other "best practices" documents being prepared.

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cpp14

This repository contains my tests of the features introduced in the c++14

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cses

This repository contains my attempts at solving the problems in cses

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cuda

This repository contains cuda code for my accompanying blog at https://stuffsrandom.wordpress.com

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dsalgo

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esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

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PRML

PRML algorithms implemented in Python

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fastpages

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gnn

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GSE

Gaussian Split Ewald and other non-PME electrostatics methods

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jax-md

Differentiable, Hardware Accelerated, Molecular Dynamics

Apache-2.0000

logp_prediction

#logP prediction model

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mathematical_physics

An exploration of mathematical physics through python.

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ocaml_gpu

This repository is an exploratory attempt at a CUDA backend for OCaml

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openmm

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

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pyparam

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pytorch_graph_simulator

020

qmcode

Basic qm code development in python

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RaGAN

Imaging, Machine Learning, Workflow

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reinforcement_learning_bootcamp

This repository contains my attempts at going through the Deep RL Bootcamp

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samar.github.io

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samarjeet.github.io

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SAMPL7

Challenge details, inputs, and results for the SAMPL7 series of challenges

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testpybind11

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uvadlc_notebooks

Repository of Jupyter notebook tutorials for teaching the Deep Learning Course at the University of Amsterdam (MSc AI), Fall 2021

MIT000

xv6-public

xv6 OS

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