Anmol Kumar's repositories
Tutorial_ML
Machine Learning Tutorial
anmolecule
About Me
cddd
Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.
charmmrtftopsf
CHARMM PSF Generator from RTF
packmol
Packmol
handson-ml2
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
handson-ml3
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
makeyourownneuralnetwork
Code for the Make Your Own Neural Network book
normal-mode-displacer
Displace atomic coordinates along molecular normal modes.
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
openmm-forcefields
CHARMM and AMBER forcefields for OpenMM
ParmEd
Parameter/topology editor and molecular simulator
pdbParser
pdbParser for eBDIMS, these could be of use to others as a standalone too.
pdbParser-1
pdbParser for eBDIMS, these could be of use to others as a standalone too.
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
psi4numpy
Combining Psi4 and Numpy for education and development.
pyCHARMM-Workshop
This repository contains materials for the pyCHARMM Workshop run at the University of Michigan by Charles Brooks' Group, June 20-24
python-machine-learning-book-2nd-edition
The "Python Machine Learning (2nd edition)" book code repository and info resource
python-machine-learning-book-3rd-edition
The "Python Machine Learning (3rd edition)" book code repository
rdkit
The official sources for the RDKit library
tensorflow
An Open Source Machine Learning Framework for Everyone
TensorFlow-Examples
TensorFlow Tutorial and Examples for Beginners (support TF v1 & v2)