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SynSilico
- Geleen, The Netherlands
- https://chem-workflows.com/
- https://orcid.org/0000-0002-2798-5386
- in/angelruizmoreno
- https://synsilico.com/
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add-on to plotly which show molecule images on mouseover!
Rostlab / SeqVec
Forked from mheinzinger/SeqVecModelling the Language of Life - Deep Learning Protein Sequences
User friendly and accurate binder design pipeline
AI-powered ab initio biomolecular dynamics simulation
SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.
Docking_py is a python library allowing a simplified use of the Smina, vina, qvina2 and qvinaw docking software. Docking_py can be easily automatize and scripted.
An open library to work with pharmacophores.
A Knowledge Graph of Common Chemical Names to their Molecular Definition
JSME Molecule Editor ipywidget for jupyter notebook
Official Repository for the Uni-Mol Series Methods
RESTful API which serves as backend for tyo-nu/MINE-app
Cloud-based molecular simulations for everyone
Official Python client for accessing ChEMBL API
Open source library to work with molecular systems
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.