Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions
☆24Jul 13, 2023Updated 3 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☆41Feb 21, 2026Updated 5 months ago
- DockCADD An automated computational framework for molecular docking☆15Mar 31, 2026Updated 4 months ago
- Pretrain Graph Transformers on molecular descriptors via masked autoencoding.☆26Jul 4, 2026Updated last month
- Implementation of Protein Invariant Point Packer (PIPPack)☆37May 28, 2024Updated 2 years ago
- Bacting is an open-source platform for chemo- and bioinformatics based on Bioclipse that defines a number of common domain objects and wr…☆23Aug 8, 2026Updated last week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- 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 5 years ago
- PREVENT: PRotein Engineering by Variational frEe eNergy approximaTion☆13Jul 4, 2024Updated 2 years ago
- Tool for modelling the CDRs of antibodies☆51Jan 19, 2023Updated 3 years ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 6 months ago
- AnOxPePred: Using deep learning for the prediction of antioxidative properties of peptides.☆10Dec 28, 2019Updated 6 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
- ☆16May 19, 2026Updated 2 months ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated 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.
- An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings☆13Feb 1, 2025Updated last year
- Code for the paper 'Continual Learning via Sequential Function-Space Variational Inference'☆27Mar 10, 2023Updated 3 years ago
- Differentiable Euler Characteristic Transform☆17Jun 18, 2024Updated 2 years ago
- Official repository for "Plug & Play Directed Evolution for Proteins with Gradient-Based Discrete MCMC"☆12Jul 18, 2023Updated 3 years ago
- ☆10Mar 11, 2025Updated last year
- Repository for code and models for the paper "Extrapolative Controlled Sequence Generation via Iterative Refinement"☆16Mar 5, 2024Updated 2 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Jan 23, 2024Updated 2 years ago
- Easy & Pretrained SOTA Deep Learning for RNA strings☆12Apr 15, 2022Updated 4 years ago
- Tool for modelling the CDRs of antibodies☆35Nov 10, 2022Updated 3 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆11Apr 11, 2023Updated 3 years ago
- Markdown extension for Sphinx☆22Apr 1, 2025Updated last year
- Files and utilities for protein-emoji☆26Nov 4, 2022Updated 3 years ago
- A recurrent neural network (RNN) that generates drug-like molecules for drug discovery.☆11May 4, 2022Updated 4 years ago
- Conceptual & empirical comparisons between decision forests & deep networks☆19Jul 17, 2026Updated 3 weeks ago
- [ICML2025] The official implementation of "PolyConf: Unlocking Polymer Conformation Generation through Hierarchical Generative Models"☆36Mar 18, 2026Updated 4 months ago
- D-CODE: Discovering Closed-form ODEs from Observed Trajectories☆15Feb 25, 2022Updated 4 years ago
- A Library for Gaussian Processes in Chemistry☆256Oct 11, 2024Updated last year
- ☆18Apr 24, 2025Updated last year
- 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.
- Code for ICML 2023 paper "Reprogramming Pretrained Language Models for Antibody Sequence Infilling"☆24Sep 18, 2025Updated 10 months ago
- PKSmart: Predicting PK properties using Chemical Structures☆22Sep 26, 2025Updated 10 months ago
- Enhancing Early Detection of Drug-Induced Liver Injury Through Predicted in vivo and in vitro Data Integration☆23Aug 15, 2025Updated last year
- Nanopore direct RNA basecaller☆11Oct 27, 2022Updated 3 years ago
- ☆47Oct 17, 2025Updated 9 months ago
- Program to find drug-like RNA-ligand binding pockets.☆25May 26, 2026Updated 2 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆33Jul 28, 2026Updated 2 weeks ago