Pinned Repositories
docker-documentation
Documentation for setting up docker containers for SAMPL challenges
SAMPL-container-api
discussion and planning of the API + metadata used for container-based workflows
SAMPL-containers
SAMPL-league
SAMPL container based workflows
SAMPL5_logD_PredictionAnalysis
Analysis of all predictions submitted for the distribution coefficient part of the SAMPL5 challenge
SAMPL6
Challenge inputs, details, and results for the SAMPL6 series of challenges
SAMPL7
Challenge details, inputs, and results for the SAMPL7 series of challenges
SAMPL8
Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges
SAMPL9
samplchallenges.github.io
Information on the Statistical Assessment of the Modeling of Proteins and Ligands (SAMPL) series of blind prediction challenges for computational chemistry
The SAMPL Challenges's Repositories
samplchallenges/SAMPL6
Challenge inputs, details, and results for the SAMPL6 series of challenges
samplchallenges/SAMPL7
Challenge details, inputs, and results for the SAMPL7 series of challenges
samplchallenges/SAMPL9
samplchallenges/SAMPL8
Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges
samplchallenges/SAMPL-containers
samplchallenges/samplchallenges.github.io
Information on the Statistical Assessment of the Modeling of Proteins and Ligands (SAMPL) series of blind prediction challenges for computational chemistry
samplchallenges/SAMPL5_logD_PredictionAnalysis
Analysis of all predictions submitted for the distribution coefficient part of the SAMPL5 challenge
samplchallenges/docker-documentation
Documentation for setting up docker containers for SAMPL challenges
samplchallenges/SAMPL-container-api
discussion and planning of the API + metadata used for container-based workflows
samplchallenges/SAMPL-league
SAMPL container based workflows
samplchallenges/SAMPL4
Archived input files from the SAMPL4 challenge
samplchallenges/SAMPL2
Archived information/files for the SAMPL2 challenge
samplchallenges/SAMPL3
Archived input files from the SAMPL3 challenge
samplchallenges/SAMPL5
Archived input files from the SAMPL5 challenge
samplchallenges/SAMPL0
Repository for historical data from SAMPL0
samplchallenges/SAMPL1
Repository for historical data from SAMPL1