Pinned Repositories
Conformer-Search
A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.
Meeko
Interfacing RDKit and AutoDock
practical_cheminformatics_tutorials
Practical Cheminformatics Tutorials
Python_Data_Analytics_Projects
This repository contains all the data analytics projects that I've worked on in python.
Python_Pandas_Module
Pandas is a high-level data manipulation tool developed by Wes McKinney. It is built on the Numpy package and its key data structure is called the DataFrame. DataFrames allow you to store and manipulate tabular data in rows of observations and columns of variables.
rdkit
aprendiendo rdkit
teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
VIH
alexthorr's Repositories
alexthorr/Conformer-Search
A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.
alexthorr/Meeko
Interfacing RDKit and AutoDock
alexthorr/practical_cheminformatics_tutorials
Practical Cheminformatics Tutorials
alexthorr/Python_Data_Analytics_Projects
This repository contains all the data analytics projects that I've worked on in python.
alexthorr/Python_Pandas_Module
Pandas is a high-level data manipulation tool developed by Wes McKinney. It is built on the Numpy package and its key data structure is called the DataFrame. DataFrames allow you to store and manipulate tabular data in rows of observations and columns of variables.
alexthorr/rdkit
aprendiendo rdkit
alexthorr/teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
alexthorr/VIH