Code and data for QMO https://arxiv.org/abs/2011.01921
☆35Oct 11, 2021Updated 4 years ago
Alternatives and similar repositories for QMO
Users that are interested in QMO are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Molecule Optimization via Fragment-based Generative Models☆44Apr 4, 2023Updated 3 years ago
- Code for ICML 2023 paper "Reprogramming Pretrained Language Models for Antibody Sequence Infilling"☆24Sep 18, 2025Updated 6 months ago
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆145Apr 8, 2026Updated last week
- Blood–Brain Barrier Penetration Prediction Enhanced by Uncertainty Estimation☆12Feb 24, 2022Updated 4 years ago
- source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molec…☆110Sep 17, 2025Updated 6 months ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆11Mar 28, 2024Updated 2 years ago
- ☆11Jan 8, 2024Updated 2 years ago
- App for serotonergic targets☆12Jan 8, 2026Updated 3 months ago
- ☆11Aug 13, 2025Updated 8 months ago
- ☆17Nov 19, 2023Updated 2 years ago
- The standalone version of SPOT-1D-Single available for public use for research purposes.☆24May 19, 2024Updated last year
- ☆12Oct 9, 2024Updated last year
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 3 years ago
- A Continuous Action Space Tree search for INverse desiGn (CASTING)☆15Dec 8, 2023Updated 2 years ago
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A new retrieval-based framework for controllable molecule generation.☆51Apr 22, 2023Updated 2 years ago
- Official Implementation of "C5T5: Controllable Generation of Organic Molecules with Transformers"☆23Dec 17, 2021Updated 4 years ago
- ☆26Jan 17, 2024Updated 2 years ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- DyRAMO: Dynamic Reliability Adjustment for Multi-objective Optimization☆15Mar 17, 2025Updated last year
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Mar 9, 2021Updated 5 years ago
- ☆42Mar 26, 2025Updated last year
- ☆26Apr 2, 2024Updated 2 years ago
- ☆169Jul 15, 2023Updated 2 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.
- A multi-model framework for blood-brain barrier permeability discovery☆18Jun 6, 2022Updated 3 years ago
- ☆48Nov 9, 2023Updated 2 years ago
- ☆30Mar 25, 2021Updated 5 years ago
- The official implementation of the ICASSP'2023 paper Global-context aware generative protein design.☆27Feb 21, 2023Updated 3 years ago
- Code for the paper: Augmenting genetic algorithms with deep neural networks for exploring the chemical space☆118Jul 9, 2021Updated 4 years ago
- ☆15Apr 14, 2023Updated 3 years ago
- Facilitates searching, screening, and organizing large chemical databases☆173Mar 1, 2024Updated 2 years ago
- Multi_CycGT: A DL-Based Multimodal Model for Membrane Permeability Prediction of Cyclic Peptides☆20Dec 24, 2024Updated last year
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆28Dec 2, 2025Updated 4 months 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.
- The present study is finalised to determine the most advanced models in the literature capable of producing new high-quality molecules st…☆10Aug 31, 2021Updated 4 years ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆69Dec 6, 2024Updated last year
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆209Feb 15, 2025Updated last year
- Implementation of MolSearch paper☆24Sep 9, 2023Updated 2 years ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆34Dec 26, 2024Updated last year
- ☆22Jan 5, 2025Updated last year
- Chemical Database Expander. For a given target compound, it generates a virtual chemical bank of analogues by replacing the substructures…☆14Jan 28, 2024Updated 2 years ago