☆16Jul 27, 2021Updated 5 years ago
Alternatives and similar repositories for GEOM-CVAE
Users that are interested in GEOM-CVAE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆18Aug 5, 2023Updated 3 years ago
- ☆11Jan 26, 2026Updated 9 months ago
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆32Apr 17, 2021Updated 5 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Jun 30, 2022Updated 4 years ago
- ☆17Nov 14, 2022Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- IUPAC-based large-scale molecular pre-trained model for property prediction and molecular generation☆11Jul 3, 2025Updated last year
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆58Nov 11, 2023Updated 2 years ago
- Molecular SMILE generation with recurrent neural networks☆21Jul 13, 2025Updated last year
- ☆64Oct 25, 2022Updated 4 years ago
- ☆30Sep 8, 2024Updated 2 years ago
- [Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design w…☆37May 2, 2026Updated 6 months ago
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated 2 years ago
- A refined evaluation pipeline for 3D molecular generative models trained on GEOM-Drugs.☆16Sep 10, 2025Updated last year
- Autonomous characterization of molecular compounds from small datasets without descriptors☆46Jun 25, 2025Updated last year
- 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.
- Lightweight Python toolkit for molecular structure analysis, visualisation, descriptors, graph export, and coarse-graining.☆14Jun 10, 2026Updated 4 months ago
- A LLM-based Agent Framework for Drug Discovery☆25Jan 11, 2026Updated 9 months ago
- A Generative Model for Molecules in 3D Space☆12Nov 10, 2021Updated 4 years ago
- Transformer-based molecular generative model for antiviral drug design☆17Nov 20, 2024Updated last year
- Diffusion-based generative drug-like molecular editing with chemical natural language☆18Dec 22, 2024Updated last year
- Molecular Reinforcement Learning☆14Mar 29, 2023Updated 3 years ago
- VenomPred 2.0 API☆11Jul 7, 2026Updated 3 months ago
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆206Feb 12, 2023Updated 3 years ago
- Generative model for molecular distance geometry☆38Mar 24, 2023Updated 3 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- K-BERT for molecular property prediction.☆31Jul 25, 2022Updated 4 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Oct 21, 2022Updated 4 years ago
- Shape-based alignment of molecules using 3D point-based representation☆26Apr 8, 2026Updated 6 months ago
- Mol-CycleGAN - a generative model for molecular optimization☆76Feb 6, 2019Updated 7 years ago
- ☆58Mar 14, 2024Updated 2 years ago
- This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via React…☆21Sep 28, 2024Updated 2 years ago
- ☆15Apr 14, 2023Updated 3 years ago
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆14Jul 8, 2025Updated last year
- Interface-aware molecular generative framework for protein-protein interaction modulators☆21Dec 22, 2024Updated 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.
- ☆10Feb 17, 2023Updated 3 years ago
- ☆28Jun 29, 2025Updated last year
- HPC Implementation of dynamic microtubules calculations on CPU, GPU and FPGA Platforms☆12Nov 1, 2017Updated 9 years ago
- ☆54May 24, 2024Updated 2 years ago
- This is the official repository for our paper "UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules" published in ICML…☆19Apr 14, 2026Updated 6 months ago
- Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"☆128Aug 18, 2023Updated 3 years ago
- Versatile Molecular Editing via Multimodal and Group-optimized Generative Learning☆26May 22, 2025Updated last year