reymond-group / loreLinks
WebGL engine for (big) data visualization.
☆30Updated last year
Alternatives and similar repositories for lore
Users that are interested in lore are comparing it to the libraries listed below
Sorting:
- A python module for generating interactive views of chemical spaces.☆74Updated 2 years ago
- ☆42Updated 11 months ago
- A Python wrapper for the Chemistry Development Kit (CDK)☆33Updated 6 years ago
- Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)☆25Updated 6 months ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Updated 5 months ago
- A generic mechanism for describing views used in molecular visualizations☆40Updated this week
- GaudiMM: A modular optimization platform for molecular design☆32Updated last year
- Molecular Query Language☆33Updated last year
- ☆19Updated 11 months ago
- DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.☆37Updated 2 months ago
- A collection of notebooks and scripts for the prediction of follow-up compounds in☆11Updated 7 months ago
- ☆16Updated 2 years ago
- cime public repository☆33Updated 2 years ago
- A bridge between Biotite and OpenMM☆15Updated 4 months ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆26Updated last month
- ☆16Updated 6 years ago
- This project introduces a novel single-step retrosynthesis approach based on chemical compound substructures and fingerprint descriptors.☆19Updated 4 years ago
- A collection of scripts for retrieving, storing, and querying SureChEMBL data.☆39Updated last year
- This repo is deprecated. I move the work to support molstar in nglview: https://github.com/nglviewer/nglview☆12Updated 7 months ago
- Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic b…