Official implementation of IJCAI'23 paper "MolHF: A Hierarchical Normalizing Flow for Molecular Graph Generation"
☆15Aug 27, 2023Updated 3 years ago
Alternatives and similar repositories for MolHF
Users that are interested in MolHF are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆10Jun 10, 2024Updated 2 years ago
- PyTorch implementation of "TGSA: Protein-Protein Association-Based Twin Graph Neural Networks for Drug Response Prediction with Similarit…☆24Dec 15, 2021Updated 4 years ago
- Official implementation of NeurIPS'23 paper "Sample-efficient Multi-objective Molecular Optimization with GFlowNets"☆20Dec 24, 2023Updated 2 years ago
- Implementation of the iterative blind deblurring algorithm with PSF size estimation☆21Jul 4, 2017Updated 9 years ago
- Code and Data for the paper: Graph Sampling-based Meta-Learning for Molecular Property Prediction [IJCAI2023]☆20Jun 29, 2023Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆10Jul 24, 2022Updated 4 years ago
- MDM☆59Feb 9, 2024Updated 2 years ago
- 南京大学 计算机科学与技术系2019 计算机系统基础PA☆15Sep 18, 2020Updated 6 years ago
- An open source version of EVQLV's HyperBindAI, a contrastive learning model for Ab-Ag interactivity.☆12Jun 11, 2025Updated last year
- AlphaFlow Reinforcement Learning☆10Jul 30, 2026Updated 3 months ago
- Official code for "Flatten Graphs as Sequences: Transformers are scalable graph generators" (NeurIPS 2025)☆18Oct 17, 2025Updated last year
- EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D☆27Jan 31, 2023Updated 3 years ago
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- ☆15Jul 4, 2026Updated 4 months 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.
- ☆14Sep 22, 2026Updated last month
- Raft Consensus Algorithm implementation in Zig☆13Nov 24, 2025Updated 11 months ago
- MGA☆44Jan 15, 2021Updated 5 years ago
- A Robust Blind Deconvolution Algorithm for Image Deblurring☆27Oct 23, 2018Updated 8 years ago
- ☆17Mar 24, 2026Updated 7 months ago
- Code for the paper "Enzyme Promiscuity Prediction using hierarchy-informed multi-label classification"☆13Aug 7, 2023Updated 3 years ago
- ☆12Oct 20, 2025Updated last year
- Lightweight Python toolkit for molecular structure analysis, visualisation, descriptors, graph export, and coarse-graining.☆14Jun 10, 2026Updated 4 months ago
- POLYGON VAE For de novo Polypharmacology☆42Mar 5, 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.
- PyEMMA Jupyter Notebooks☆13Jan 28, 2021Updated 5 years ago
- Implementation of GraphNVP(https://arxiv.org/abs/1905.11600) using PyTorch.☆13Jun 12, 2021Updated 5 years ago
- ☆14May 9, 2024Updated 2 years ago
- You Only Look At Face☆35Jun 24, 2020Updated 6 years ago
- Augmenting Polymer Datasets via Iterative Rearrangement☆13Jun 30, 2023Updated 3 years ago
- semi-supervised learning for molecular property prediction☆52Aug 17, 2021Updated 5 years ago
- A collection of deep reinforcement learning-based & GFlowNet drug molecule generators focused on generation of molecules using Graphs/SEL…☆10Dec 11, 2022Updated 3 years ago
- ☆10Jul 4, 2022Updated 4 years ago
- Surface segregation using Deep Reinforcement Learning☆13Aug 30, 2021Updated 5 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.
- Source code for Single-step Retrosynthesis Prediction by Leveraging Commonly Preserved Substructures☆15Jun 9, 2023Updated 3 years ago
- A GitHub Action ranks your followers according to different criteria(number of their followers, credits of their repos, number of their c…☆12Jul 9, 2022Updated 4 years ago
- ☆13Jun 14, 2025Updated last year
- This repository contains code for the paper "Layer by Layer: Uncovering Where Multi-Task Learning Happens in Instruction-Tuned Large Lang…☆10Nov 12, 2024Updated last year
- ☆11Dec 27, 2021Updated 4 years ago
- Weakly-supervised learning for vessel segmentation☆10Jul 26, 2023Updated 3 years ago
- Prediction of metabolites formed by phase I and phase II xenobiotic metabolism.☆17May 25, 2022Updated 4 years ago