Pinned Repositories
ReLeaSE
Deep Reinforcement Learning for de-novo Drug Design
AgentNet
Deep Reinforcement Learning library for humans
ASKCOS
bioMTL
Prediction of biological activity for nuclear receptors
Coursera
MolSSI_devops_2019
A sample repository for the MolSSI Fellow Bootcamp
OpenChem
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
ReLeaSE
Deep Reinforcement Learning for de-novo Drug Design
Time-series-forecasting
Mariewelt's Repositories
Mariewelt/OpenChem
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
Mariewelt/bioMTL
Prediction of biological activity for nuclear receptors
Mariewelt/MolSSI_devops_2019
A sample repository for the MolSSI Fellow Bootcamp
Mariewelt/ReLeaSE
Deep Reinforcement Learning for de-novo Drug Design
Mariewelt/Time-series-forecasting
Mariewelt/AgentNet
Deep Reinforcement Learning library for humans
Mariewelt/ASKCOS
Mariewelt/Coursera
Mariewelt/gpusimilarity
A Cuda/Thrust implementation of fingerprint similarity searching
Mariewelt/mariewelt-mdp-med
A sort of a hub for what happens within the internship
Mariewelt/mariewelt.github.io
My personal website
Mariewelt/molssi
Mariewelt/NeMo
Neural Modules: a toolkit for conversational AI
Mariewelt/OpenSeq2Seq
Toolkit for efficient experimentation with Speech Recognition, Text2Speech and NLP
Mariewelt/pipelines
Containerised components for cheminformatics and computational chemistry
Mariewelt/rdkit
The official sources for the RDKit library