Schrodinger, Inc.

fep-restraints

Tools to add restraints to FEP runs (currently only AB-FEP). Includes a workflow to determine reference structures and restraint widths from plain MD simulations.

pymol-open-source

Open-source foundation of the user-sponsored PyMOL molecular visualization system.

linux_package_requirement

Script to check required packages for Schrödinger suite on Linux machine

protein-fep-benchmark

Data and scripts for the Protein Binding FEP+ benchmark manuscript.

infra-tester

YAML configuration based infrastructure testing.

fixed-data-table-2

A React table component designed to allow presenting millions of rows of data.

sketcher

Schrödinger 2D Sketcher

q-e

gpusimilarity

A Cuda/Thrust implementation of fingerprint similarity searching

hacking-the-gender-stack-2024-demo

hacking-the-gender-stack-2024-template

Starter template for a Django project

coordgenlibs

Schrodinger-developed 2D Coordinate Generation

functional-response

Supporting materials for the functional response manuscript: analysis code, machine-readable results, and FEP starting poses.

descriptastorus

Descriptor computation(chemistry) and (optional) storage for machine learning

pymol-testing

PyMOL Testing Framework

maeparser

maestro file parser

super_secret_algorithm

JSON-Patch

public_binding_free_energy_benchmark

The public versio

public_ABFEP_data

waf

The Waf build system

hacking-the-gender-stack-blue

hacking-the-gender-stack-green

hacking-the-gender-stack-template

hacking-the-gender-stack-red

hacking-the-gender-stack-gold

hacking-the-gender-stack-silver

hackathon-project

.github

postgresql

Development repository for Opscode Cookbook postgresql