devalab Goto Github PK
Name: Deva Lab
Type: Organization
Bio: Research lab | ML4Molecular Science | Computational Chemistry I AI4Healthcare
Twitter: deva_priyakumar
Location: Hyderabad
Blog: devalab.org
Name: Deva Lab
Type: Organization
Bio: Research lab | ML4Molecular Science | Computational Chemistry I AI4Healthcare
Twitter: deva_priyakumar
Location: Hyderabad
Blog: devalab.org
Apo structures for protein-ligand complexes in PDBbind V. 2019
J. Comp. Chem. 2020, 41, 790-799
AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules
Ligand Binding Site detection using Deep Learning
A framework that predicts the molecular structure when given Infrared and 13C Nuclear magnetic resonance spectra without referring to any pre-existing spectral databases or molecular fragment knowledge bases
Delta Net Force Field (https://doi.org/10.1021/acs.jpca.0c03926)
Deep learning enabled for INorganic material Generator (https://doi.org/10.1039/D0CP03508D)
Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards
ML for Science Tutorials
Implementation of MO-MEMES, an extension to the Machine learning framework for Enhanced MolEcular Screening (MEMES) framework for multi-objective Bayesian optimization.
Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards
Latent biases present in ML methods used for protein-ligand interaction prediction tasks
J. Chem. Theory Comput. 2018, 14, 7, 3365-3380
Self-Consistent Neural Network for Protein Stability Prediction upon Mutations
Official code for SwinFUSE to be presented in Self-supervised Modality-agnostic Pre-training Of Swin Transformers at ISBI'24
An encoder-decoder transformer model that models retrosynthetic analysis along with novel metrics for evaluation.
Improved prediction of Torsion angles of RNA by leveraging large language models
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.