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rna-tools icon rna-tools

🔧rna-tools: a toolbox to analyze sequences, structures and simulations of RNA (and more) docs @ http://rna-tools.rtfd.io

simba2 icon simba2

A Python package for predicting changes in protein stability upon mutation

simbad icon simbad

Sequence Independent Molecular replacement Based on Available Database

spinrelax icon spinrelax

A workflow to compute NMR spin-relaxation parameters based on molecular dynamics trajectories.

teachopencadd icon teachopencadd

TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

thermonet icon thermonet

ThermoNet is a computational framework for quantitative prediction of the impact of single-point mutations on protein thermodynamic stability. The core algorithm of ThermoNet is an ensemble of deep 3D convolutional neural networks.

ugm_2020 icon ugm_2020

Materials from the (virtual) 2020 RDKit UGM

workshop icon workshop

AI and Machine Learning with Kubeflow, Amazon EKS, and SageMaker

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