Pinned Repositories
accelerated_sampling_with_autoencoder
Accelerated sampling framework with autoencoder-based method
alphafold
Open source code for AlphaFold.
alphafold3-pytorch
Implementation of Alphafold 3 in Pytorch
ANN_Force
ANN force plugin for OpenMM with native CUDA support
ArtificialIntelligenceEngines
Computer code collated for use with Artificial Intelligence Engines book by JV Stone
ATI-Feb20
graphtime
Encoding of transition probabilities with undirected graphical models
instance-segmentation-with-discriminative-loss-tensorflow
Tensorflow implementation of "Semantic Instance Segmentation with a Discriminative Loss Function"
RoseTTAFold
This package contains deep learning models and related scripts for RoseTTAFold
sandres
SAnDReS (Statistical Analysis of Docking Results and Scoring functions) is a free and open-source (GNU General Public License) computational environment for the development of machine-learning models for the prediction of ligand-binding affinity. We developed SAnDReS using Python programming language, and SciPy, NumPy, scikit-learn, and Matplotlib libraries as a computational tool to explore the scoring function space.
DerienFe's Repositories
DerienFe/instance-segmentation-with-discriminative-loss-tensorflow
Tensorflow implementation of "Semantic Instance Segmentation with a Discriminative Loss Function"
DerienFe/graphtime
Encoding of transition probabilities with undirected graphical models
DerienFe/accelerated_sampling_with_autoencoder
Accelerated sampling framework with autoencoder-based method
DerienFe/ANN_Force
ANN force plugin for OpenMM with native CUDA support
DerienFe/ArtificialIntelligenceEngines
Computer code collated for use with Artificial Intelligence Engines book by JV Stone
DerienFe/ATI-Feb20
DerienFe/awesome-audio-visualization
A curated list about Audio Visualization.
DerienFe/CorrFunction_NMRRelaxation
Python code to calculate the NMR relaxation 1H-15N T1, T2 and heteronuclear NOE parameters via fitting the N-H bond correlation functions to a sum of exponentials
DerienFe/Coupling_from_tresp
DerienFe/gcn
Implementation of Graph Convolutional Networks in TensorFlow
DerienFe/GCN-tutorial
Simple Tutorial of Graph Convolutional Neural Networks.「 Learning by writing 」
DerienFe/Git_test
DerienFe/Machine-Learning-Algorithm
【Numpy 手写实现】SVM 支持向量机 | KNN K近邻 | Kmeans | Logistic Regression 逻辑回归 | Maximum Entropy 最大熵 | Naive Bayes 朴素贝叶斯 | Perception 感知机 | Decision Tree 决策树 | Random Forest 随机森林 | DBDT | GDA 高斯判别分析 | PCA 主成分分析 | LDA 线性判别分析
DerienFe/martyns_playlists
A collection of fire playlists
DerienFe/neural-fingerprint
Convolutional nets which can take molecular graphs of arbitrary size as input.
DerienFe/neural_fingerprints_tf
A TensorFlow implementation of "Convolutional Networks on Graphs for Learning Molecular Fingerprints".
DerienFe/optuna
A hyperparameter optimization framework
DerienFe/PyDHAMed
Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
DerienFe/pygcn
Graph Convolutional Networks in PyTorch
DerienFe/pymol-open-source
Open-source foundation of the user-sponsored PyMOL molecular visualization system.
DerienFe/Pymol-script-repo
Collected scripts for Pymol
DerienFe/pytorch-a2c
A well-documented A2C written in PyTorch
DerienFe/PyTorch-Multi-Style-Transfer
Neural Style and MSG-Net
DerienFe/random-forest
Implementation of a Random Forest classifier in both Python and Scala
DerienFe/regression-losses-pytorch
Experimenting with different regression losses. Implemented in Pytorch.
DerienFe/rsd-engineeringcourse
Materials for Turing's Research Software Engineering course
DerienFe/SpatialLearning
spatial learning with signature features set
DerienFe/the-turing-way
Host repository for The Turing Way: a how to guide for reproducible data science
DerienFe/topic-example
DerienFe/word_cloud
A little word cloud generator in Python