Learning with uncertainty for biological discovery and design
☆34Mar 24, 2023Updated 3 years ago
Alternatives and similar repositories for uncertainty
Users that are interested in uncertainty are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Model to predict kinase-ligand pKi values.☆12Jul 6, 2023Updated 2 years ago
- Promoter activity measurement and modeling; artificial promoter design and testing☆13Mar 24, 2023Updated 3 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- ☆13Apr 4, 2025Updated last year
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆32Jul 29, 2025Updated 9 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.
- ☆12Dec 10, 2024Updated last year
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆21Oct 21, 2023Updated 2 years ago
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 3 years ago
- This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…☆27Sep 28, 2021Updated 4 years ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years ago
- ☆11Jan 21, 2019Updated 7 years ago
- Scripts for running lsc model on other datasets☆13May 25, 2019Updated 6 years ago
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆22Apr 21, 2024Updated 2 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆25May 16, 2020Updated 5 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Bayesian MPNNs for Molecular Property Prediction☆30Dec 30, 2020Updated 5 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆12Jan 17, 2020Updated 6 years ago
- Example code and data samples for "An experimentally validated approach to automated biological evidence generation in drug discovery usi…☆12Jan 25, 2024Updated 2 years ago
- Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…☆37Oct 3, 2022Updated 3 years ago
- ☆14May 15, 2024Updated last year
- Multi-study integration of cellular trajectories☆19Jun 1, 2020Updated 5 years ago
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- A σ-VAE implementation in TensorFLow☆16Mar 24, 2023Updated 3 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Sep 22, 2023Updated 2 years ago
- 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.
- JavaScript modules for visualchemeng.com☆13Jul 24, 2022Updated 3 years ago
- Molecular Out-Of-Distribution☆40Apr 16, 2025Updated last year
- Code for memory-assisted reinforcement learning☆24Oct 19, 2020Updated 5 years ago
- TBiNet: A deep neural network for predicting transcription factor binding sites using attention mechanism☆25Jan 14, 2021Updated 5 years ago
- Sequence-to-function deep learning frameworks for engineered riboregulators☆14Aug 3, 2023Updated 2 years ago
- Homology reduced UniProt, train-/valid-/testsets for language modeling☆16Apr 20, 2022Updated 4 years ago
- Prediction of protein substitution impact using a directional substitution matrix and homolog alignments☆12Oct 25, 2021Updated 4 years ago
- Molecular standardisation tool☆78Aug 23, 2020Updated 5 years ago
- Genome scale metabolic models in SBML format☆11Nov 16, 2021Updated 4 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- quantum chemistry common driver and databases☆16Dec 6, 2022Updated 3 years ago
- Reimplementation of the UniRep protein featurization model.☆108Sep 3, 2024Updated last year
- EMNLP 2022 Demo "SynKB: Semantic Search for Chemical Synthesis Procedures"☆17Oct 31, 2022Updated 3 years ago
- Mechanical Turk on your own machine for chemical literature annotation☆13Feb 17, 2022Updated 4 years ago
- ☆12Oct 8, 2020Updated 5 years ago
- ☆16Jun 16, 2022Updated 3 years ago
- PyMissense creates the pathogenicity plot and modified pdb as shown in the AlphaMissense paper for custom proteins.☆24Oct 13, 2023Updated 2 years ago