samplchallenges/SAMPL6

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Language
Python
License
MIT License
Created about 7 years ago
Updated over 2 years ago

samplchallenges/SAMPL6

samplchallenges

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Challenge inputs, details, and results for the SAMPL6 series of challenges

SAMPL7

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

SAMPL9

SAMPL8

Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges

SAMPL-containers

samplchallenges.github.io

Information on the Statistical Assessment of the Modeling of Proteins and Ligands (SAMPL) series of blind prediction challenges for computational chemistry

SAMPL5_logD_PredictionAnalysis

Analysis of all predictions submitted for the distribution coefficient part of the SAMPL5 challenge

SAMPL-container-api

discussion and planning of the API + metadata used for container-based workflows

docker-documentation

Documentation for setting up docker containers for SAMPL challenges

SAMPL4

Archived input files from the SAMPL4 challenge

SAMPL-league

SAMPL container based workflows