reymond-group / lore
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
- A python module for generating interactive views of chemical spaces.☆75Updated last year
- ☆42Updated 5 months ago
- Web-based visualization of large, high-dimensional datasets.☆16Updated 2 years ago
- Javascript viewer for proteins and DNA with animated views☆53Updated last year
- A Python wrapper for the Chemistry Development Kit (CDK)☆30Updated 5 years ago
- substructure search in large combinatorial spaces using openchemlib☆19Updated 3 weeks ago
- C++/Python Library for Systematic Chemical Space Exploration☆19Updated 3 years ago
- Protein-Ligand Interaction Fingerprints☆19Updated 4 years ago
- ☆16Updated 2 years ago
- ☆15Updated 5 years ago
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Updated 6 years ago
- Jupyter Widgets to interact with molecular datasets.☆30Updated 2 years ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆21Updated last month
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆21Updated 2 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆26Updated last year
- (inactive) A web application client for chemical data analysis and visualization.☆15Updated 2 years ago
- 2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js☆77Updated 6 years ago
- Code available for the quantitative pharmacophores☆11Updated 2 years ago
- CheTo - Chemical Topic Modeling☆32Updated 3 years ago
- Direct-to-SVG small molecule drawer.☆24Updated last week
- This project introduces a novel single-step retrosynthesis approach based on chemical compound substructures and fingerprint descriptors.☆19Updated 3 years ago
- molecular plots in Jupyter, powererd by Blender Geometry Nodes☆55Updated 10 months ago
- Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)☆20Updated last week
- Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structure…☆26Updated 4 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD.☆17Updated 2 weeks ago
- example demonstrating a free energy estimation starting from OFF and OpenMM☆10Updated 4 years ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆39Updated last year
- Functions to scrape GPCR data from the web.☆16Updated 3 years ago
- ugtm: a Python package for Generative Topographic Mapping☆49Updated 3 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆45Updated 3 years ago