Pinned Repositories
alchemical-best-practices
Best practice document for alchemical free energy calculations going to livecoms journal
apocharmm
apoCHARMM-workshop
A series of tutorials for apoCHARMM workshop
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.
cpp14
This repository contains my tests of the features introduced in the c++14
cses
This repository contains my attempts at solving the problems in cses
cuda
This repository contains cuda code for my accompanying blog at https://stuffsrandom.wordpress.com
hpka
Modulo7
A semantic and technical analysis of musical scores based on Information Retrieval Principles
PRML
PRML algorithms implemented in Python
samarjeet's Repositories
samarjeet/hpka
samarjeet/apocharmm
samarjeet/alchemical-best-practices
Best practice document for alchemical free energy calculations going to livecoms journal
samarjeet/apoCHARMM-workshop
A series of tutorials for apoCHARMM workshop
samarjeet/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.
samarjeet/cpp14
This repository contains my tests of the features introduced in the c++14
samarjeet/cses
This repository contains my attempts at solving the problems in cses
samarjeet/cuda
This repository contains cuda code for my accompanying blog at https://stuffsrandom.wordpress.com
samarjeet/dsalgo
samarjeet/esm
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
samarjeet/PRML
PRML algorithms implemented in Python
samarjeet/fastpages
samarjeet/gnn
samarjeet/GSE
Gaussian Split Ewald and other non-PME electrostatics methods
samarjeet/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
samarjeet/logp_prediction
#logP prediction model
samarjeet/mathematical_physics
An exploration of mathematical physics through python.
samarjeet/ocaml_gpu
This repository is an exploratory attempt at a CUDA backend for OCaml
samarjeet/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
samarjeet/pyparam
samarjeet/pytorch_graph_simulator
samarjeet/qmcode
Basic qm code development in python
samarjeet/RaGAN
Imaging, Machine Learning, Workflow
samarjeet/reinforcement_learning_bootcamp
This repository contains my attempts at going through the Deep RL Bootcamp
samarjeet/samar.github.io
samarjeet/samarjeet.github.io
samarjeet/SAMPL7
Challenge details, inputs, and results for the SAMPL7 series of challenges
samarjeet/testpybind11
samarjeet/uvadlc_notebooks
Repository of Jupyter notebook tutorials for teaching the Deep Learning Course at the University of Amsterdam (MSc AI), Fall 2021
samarjeet/xv6-public
xv6 OS