layeqa Goto Github PK
Type: User
Twitter: Clark45657011
Location: Bayamón, Puerto Rico
Type: User
Twitter: Clark45657011
Location: Bayamón, Puerto Rico
Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.
Package to fix chain breaks in PDB files
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
Population-based De Novo Molecule Generation, Using Grammatical Evolution
Curation of mechanistic relations from roles in ChEBI and MeSH
Repository for Chemical Perception Sampling Tools
Molecule Design using Monte Carlo Tree Search with Neural Rollout
Generate canonical molecule identifiers for quantum chemistry database
Sequential Monte Carlo (SMC) for molecular mechanics
Docker images used for the Amber project
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
Experimental affinity data regarding Cytochrome P450 BM3 model system is organized under this repository.
Distributed Evolutionary Algorithms in Python
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
A unified framework of perturbation and gradient-based attribution methods for Deep Neural Networks interpretability. DeepExplain also includes support for Shapley Values sampling. (ICLR 2018)
A protein functional site predictor using point-cloud networks.
Modularized Implementation of Deep RL Algorithms in PyTorch
A deep learning method that identifies improved protein conformational states in trajectory data from refinement simulations
SMILES Depiction Generator
:wrench: .files, including ~/.macos — sensible hacker defaults for macOS
A knowledge graph and a set of tools for drug repurposing
A set of standard tools for setting proteins and small molecules for molecular simulations.
APBS & PDB2PQR - software for biomolecular electrostatics and solvation
Automated omics-scale protein modeling and simulation setup.
ESLint Config for JavaScript Standard Style
ESLint Shareable Config for React/JSX support in JavaScript Standard Style
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.