Pinned Repositories
bubbleplot
Bubble charts
bxde
A collection of scripts for molecular dynamics simulations with BXD in energy space in 2D and 3D systems.
isopentane_paper_si
Supporting information for the publication about sampling of potential energy surfaces with VR and constrained MD.
MolBot
Recurrent Neural Networks for Drug Discovery
qml
QML: Quantum Machine Learning
qml_scripts
Random collection of QML scripts
REINVENT
Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
tf_hackathon
TensorFlow workshop for the Centre for Computational Chemistry
useful_algorithms
Learning common data structures and algorithms
SilviaAmAm's Repositories
SilviaAmAm/isopentane_paper_si
Supporting information for the publication about sampling of potential energy surfaces with VR and constrained MD.
SilviaAmAm/MolBot
Recurrent Neural Networks for Drug Discovery
SilviaAmAm/bubbleplot
Bubble charts
SilviaAmAm/bxde
A collection of scripts for molecular dynamics simulations with BXD in energy space in 2D and 3D systems.
SilviaAmAm/REINVENT
Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
SilviaAmAm/useful_algorithms
Learning common data structures and algorithms
SilviaAmAm/tf_hackathon
TensorFlow workshop for the Centre for Computational Chemistry
SilviaAmAm/GeoFun
SilviaAmAm/qml
QML: Quantum Machine Learning
SilviaAmAm/2019submissions
Pwn2Win CTF 2019 flag submissions
SilviaAmAm/django
The Web framework for perfectionists with deadlines.
SilviaAmAm/django_twitter_tutorial
SilviaAmAm/EndeavourOS-archiso
Build EndeavourOS ISO
SilviaAmAm/example_molbot
SilviaAmAm/FCD
Fréchet ChemNet Distance: A quality measure for generative models for molecules
SilviaAmAm/gputil
A Python module for getting the GPU status from NVIDA GPUs using nvidia-smi programmically in Python
SilviaAmAm/guacamol
Benchmarks for generative chemistry
SilviaAmAm/neural-fingerprint
Convolutional nets which can take molecular graphs of arbitrary size as input.
SilviaAmAm/NN-sq
Scripts for the data analysis of the squalane project
SilviaAmAm/open-zaak
Open Zaak is a modern, open-source data- and services-layer to enable zaakgericht werken, a Dutch approach to case management.
SilviaAmAm/qmk_firmware
Open-source keyboard firmware for Atmel AVR and Arm USB families
SilviaAmAm/resuscitate_work
SilviaAmAm/rl_sutton
Exercises from Sutton RL book
SilviaAmAm/scscore
SilviaAmAm/SilviaAmAm.github.io
https://www.walfits.com
SilviaAmAm/squalane_paper_si
SilviaAmAm/TimeLapse
Toy app that takes a time lapse of photos
SilviaAmAm/tmcs_hackathon
TMCS software development course
SilviaAmAm/UKtrains
SilviaAmAm/useful_scripts