Physico-chemical and biological property prediction for small molecules
☆12May 3, 2022Updated 4 years ago
Alternatives and similar repositories for vae-embeddings
Users that are interested in vae-embeddings are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.☆13Nov 25, 2015Updated 10 years ago
- ☆12Jul 3, 2021Updated 4 years ago
- A Python wrapper for alvaDesc software☆10Oct 15, 2024Updated last year
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Comparing graph representations for molecular features prediction☆24Jul 26, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Target prediction☆14May 8, 2020Updated 5 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Dec 30, 2022Updated 3 years ago
- ☆13Aug 5, 2025Updated 9 months ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago
- RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning☆24Aug 22, 2022Updated 3 years ago
- Deep Learning for Chemical Image Recognition (DECIMER)☆19May 3, 2021Updated 5 years ago
- A program for the conformational search in flexible acyclic molecules☆11Jul 12, 2022Updated 3 years ago
- Another Molecular String Representation☆10Apr 21, 2026Updated 2 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆17Oct 4, 2021Updated 4 years ago
- The fastest Quadtree for Python. Just pip install and go. Powered by Rust. Quick inserts, easy neighbor queries, and seamless Pygame supp…☆31Apr 9, 2026Updated 3 weeks ago
- A library for writing chemical and biological data management systems☆10Oct 24, 2019Updated 6 years ago
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆16Jul 19, 2015Updated 10 years ago
- A novel approach to the classification of antimicrobial peptides (AMPs) using pre-trained language models to create contextual vectorized…☆17Sep 10, 2024Updated last year
- Tools, tutorials, and wiki for GROMACS☆21Jul 21, 2020Updated 5 years ago
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- ☆13Jul 13, 2019Updated 6 years ago
- Run CellProfiler on Terra. Contains workflows that enable a full end-to-end Cell Painting pipeline.☆11May 22, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Code for paper 'Accelerating Antimicrobial Peptide Discovery with Latent Sequence-Structure Model'☆13Mar 21, 2024Updated 2 years ago
- AstraZeneca add-ons to Orange.☆23Jun 15, 2020Updated 5 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Apr 29, 2020Updated 6 years ago
- Code and software used to design de novo protein nanomachines. Supplementary material for "Computational design of nanoscale rotational m…☆10Mar 19, 2022Updated 4 years ago
- Arduino library that implements a parallel printer - print interface☆15Apr 23, 2026Updated last week
- Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction☆13Jan 8, 2022Updated 4 years ago
- This repository contains the AlphaCutter.py for the removal of non-globular regions from predicted protein structures.☆15Jul 25, 2023Updated 2 years ago
- A lightweight generic cheminformatics toolkit☆20Apr 14, 2016Updated 10 years ago
- ☆16Jul 28, 2022Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Materials for 0.5-day MDAnalysis workshops☆14Jul 25, 2025Updated 9 months ago
- Base pair-augmented SE(3)-flow matching for conditional RNA 3D structure generation☆13Jan 19, 2026Updated 3 months ago
- PIDGINv4☆13Mar 15, 2022Updated 4 years ago
- These files are meant to accompany "What are our models really telling us? A practical tutorial on avoiding common mistakes when buildin…☆13May 22, 2013Updated 12 years ago
- Upgrades for QIDI X-CF Pro for better printing quality☆12Jun 20, 2025Updated 10 months ago
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Oct 5, 2017Updated 8 years ago
- ☆14May 9, 2024Updated last year