Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions
☆24Jul 13, 2023Updated 2 years ago
Alternatives and similar repositories for Q-SAVI
Users that are interested in Q-SAVI are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆40Feb 21, 2026Updated 2 months ago
- DockCADD An automated computational framework for molecular docking☆15Mar 31, 2026Updated last month
- Bacting is an open-source platform for chemo- and bioinformatics based on Bioclipse that defines a number of common domain objects and wr…☆21Apr 18, 2026Updated 2 weeks ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆35May 28, 2024Updated last year
- Enhancing Early Detection of Drug-Induced Liver Injury Through Predicted in vivo and in vitro Data Integration☆21Aug 15, 2025Updated 8 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Program to find drug-like RNA-ligand binding pockets.☆24Mar 19, 2026Updated last month
- 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
- Code to reproduce the numerical experiments in the paper Domain adaptation under structural causal models by Yuansi Chen and Peter Bühlma…☆17Jun 7, 2021Updated 4 years ago
- ☆10Apr 21, 2026Updated 2 weeks ago
- [Neurips 2025] Official Implementation of ConfRover models☆24Feb 3, 2026Updated 3 months ago
- Tool for modelling the CDRs of antibodies☆51Jan 19, 2023Updated 3 years ago
- This repository is the official implementation of Bidirectional Learning for Offline Infinite-width Model-based Optimization (NeurIPS 202…☆14Jan 19, 2023Updated 3 years ago
- AnOxPePred: Using deep learning for the prediction of antioxidative properties of peptides.☆10Dec 28, 2019Updated 6 years ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated 10 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Differentiable Euler Characteristic Transform☆17Jun 18, 2024Updated last year
- PREVENT: PRotein Engineering by Variational frEe eNergy approximaTion☆13Jul 4, 2024Updated last year
- Official repository for "Plug & Play Directed Evolution for Proteins with Gradient-Based Discrete MCMC"☆12Jul 18, 2023Updated 2 years ago
- 🧮 Algebraic Positional Encodings.☆20Aug 20, 2025Updated 8 months ago
- ☆10Mar 11, 2025Updated last year
- ☆16Apr 1, 2025Updated last year
- Repository for code and models for the paper "Extrapolative Controlled Sequence Generation via Iterative Refinement"☆16Mar 5, 2024Updated 2 years ago
- Collection of three method of moments based algorithms for learning stochastic languages.☆16Jan 22, 2015Updated 11 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Jan 23, 2024Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Code for the paper 'Continual Learning via Sequential Function-Space Variational Inference'☆26Mar 10, 2023Updated 3 years ago
- Easy & Pretrained SOTA Deep Learning for RNA strings☆12Apr 15, 2022Updated 4 years ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆47Jan 17, 2024Updated 2 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆36Apr 14, 2026Updated 3 weeks ago
- Tool for modelling the CDRs of antibodies☆35Nov 10, 2022Updated 3 years ago
- Files and utilities for protein-emoji☆27Nov 4, 2022Updated 3 years ago
- ☆18Oct 22, 2020Updated 5 years ago
- ☆11Apr 11, 2023Updated 3 years ago
- Markdown extension for Sphinx☆22Apr 1, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A recurrent neural network (RNN) that generates drug-like molecules for drug discovery.☆11May 4, 2022Updated 4 years ago
- ☆35Nov 23, 2025Updated 5 months ago
- A Library for Gaussian Processes in Chemistry☆251Oct 11, 2024Updated last year
- ☆15Oct 9, 2020Updated 5 years ago
- AbLang: A language model for antibodies☆17Sep 22, 2023Updated 2 years ago
- Code fo ICLR2025 paper "A Simple yet Effective DDG Predictor is An Unsupervised Antibody Optimizer and Explainer"☆22Jul 18, 2025Updated 9 months ago
- OpenMM Metal Plugin☆19Aug 20, 2024Updated last year