rkakamilan Goto Github PK
Type: User
Bio: Medicinal Chemistry; Chemoinformatics; Bioinformatics; Total Synthesis
Location: Japan
Type: User
Bio: Medicinal Chemistry; Chemoinformatics; Bioinformatics; Total Synthesis
Location: Japan
Atoms In Molecules Neural Network Potential
Python library for array programming on biological datasets. Documentation available at: https://bionumpy.github.io/bionumpy/
ChatGPT for Drug Discovery
Molecule Design using Monte Carlo Tree Search with Neural Rollout
Package for consistent reporting of relative free energy results
Implementation of Shape and Electrostatic similarity metric in deepFMPO.
Deep (Transfer) Learning for Peptide Retention Time Prediction
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Drug discovery project by making use of the Tox-21 dataset.
A Binder-compatible repo for explainable QSAR
Draft of the fastai book
Code for "Molecular Hypergraph Grammar with Its Application to Molecular Optimization"
Graphormer is a general-purpose deep learning backbone for molecular modeling.
Code examples on how to do things with OpenCV on Python
Novel molecules from a reference shape!
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"
Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)
MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Official data repository for the Open Reaction Database
Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models
Practice and tutorial-style notebooks covering wide variety of machine learning techniques
Geometric Deep Learning Extension Library for PyTorch
Build ChatGPT over your data, all with natural language
A Binder-compatible repo for sanity-check for explainable QSAR
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.