sbhakat Goto Github PK
Type: User
Company: AlloTec
Location: St. Louis, USA
Blog: https://cbiores.com/
Type: User
Company: AlloTec
Location: St. Louis, USA
Blog: https://cbiores.com/
Cryptic pocket prediction using AlphaFold 2
A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2
Deep learning AI for generating new molecules that bond to the COVID-19.
Open source code for AlphaFold.
Learning free energy landscapes using artificial neural networks
A curated list of resources for machine learning for small-molecule drug discovery
Helping MD customers run workloads on Graviton 3E instances (especially hpc7g) with optimized compiler settings
This is the official code release for Bayesian Flow Networks.
Code for reproducing the experiment from the paper "A biologically plausible neural network for Slow Feature Analysis"
tICA to capture local loop motion. Describes how to analyse loop movement using TICA and how to run PT-Metad using TIC vectors
PyTorch implementation of char-rnn (character-level language model)
Binary classifier as CV in enhanced sampling
A PyTorch implementation of "Cluster-GCN: An Efficient Algorithm for Training Deep and Large Graph Convolutional Networks" (KDD 2019).
A package that allows you to read COLVAR output from Plumed and access data
General-purpose dimensionality reduction and manifold learning tool based on Variational Autoencoder, implemented in TensorFlow.
Scripts and input files associated with docking and free energy calculations for the COVID Moonshot
MSM workflow for: Thomas, T.; Yuriev, E; Chalmers, D. K. "MarkovState Model Analysis of Haloperidol Binding to the D3 Dopamine Receptor."
This is a repository of my website.
Learning deep representations by mutual information estimation and maximization
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Deep InfoMax (DIM), or "Learning Deep Representations by Mutual Information Estimation and Maximization"
[TGRS 2019] Unsupervised Deep Slow Feature Analysis for Change Detection in Multi-Temporal Remote Sensing Images
Jupyter notebooks in the terminal
Use the parallelization framework jug to build exposons!
protein-ligand alchemical free energy calculations via Folding@Home
Visualization tool for changing networks
Codes to use funnel-metadynamics and funnel metadynamics automated protocol
Fast protein backbone generation with SE(3) flow matching.
This repo is designed to give initial files to perform Funnel metadynamics as described in the paper Resolving the problem of trapped water in binding cavities: prediction of host–guest binding free energies in the SAMPL5 challenge by funnel metadynamics (https://link.springer.com/article/10.1007/s10822-016-9948-6)
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.