☆11Sep 24, 2024Updated 2 years ago
Alternatives and similar repositories for DIG-Mol
Users that are interested in DIG-Mol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆11Jul 3, 2025Updated last year
- 西北农林科技大学学位论文LaTeX文档类(模板)，计划支持本科、硕士、博士学位论文。☆16Mar 8, 2019Updated 7 years ago
- ICLR 2025: We propose Atomas, a hierarchical molecular representation learning framework that jointly learns representations from SMILES …☆20Feb 24, 2025Updated last year
- Multiscale exploration of informative latent features for accurate deep eutectic solvents viscosity prediction☆11Jun 16, 2026Updated 4 months ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Jul 11, 2022Updated 4 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Implementation of the paper: Multivector Neurons: Better and Faster O(n)-Equivariant Clifford Graph Neural Networks☆11Jun 8, 2024Updated 2 years ago
- ☆13Apr 2, 2025Updated last year
- ☆15Sep 22, 2026Updated last month
- Leveraging Contrastive Learning for Enhanced Node Representations in Tokenized Graph Transformers☆10May 13, 2025Updated last year
- ☆11Jan 17, 2025Updated last year
- [ICML 2024] How Interpretable Are Interpretable Graph Neural Networks?☆16Jun 27, 2024Updated 2 years ago
- ☆11Oct 16, 2026Updated 2 weeks ago
- Fork of dusty-nv/jetson-reinforcement. Deep reinforcement learning GPU libraries for NVIDIA Jetson TX1/TX2 with PyTorch, OpenAI Gym, and …☆10Apr 28, 2024Updated 2 years ago
- ☆31Aug 31, 2026Updated 2 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Fast and accurate prediction of coiled coil domains in protein sequences. ☆27Dec 17, 2023Updated 2 years ago
- ☆19Apr 30, 2025Updated last year
- ☆28Feb 27, 2023Updated 3 years ago
- ☆16Dec 8, 2025Updated 10 months ago
- DyGPrompt☆13Jun 10, 2025Updated last year
- Bayesian Sparse Additive Perturbation Regression, code and simulations☆19Apr 29, 2025Updated last year
- EMNLP'22, CEM improves MHCH performance by correcting prediction bias and training an auxiliary cost simulator based on user state and la…☆11Oct 9, 2022Updated 4 years ago
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆88Dec 17, 2024Updated last year
- A crystal structure finder written in PyQt5 and Python3☆15Oct 26, 2026Updated last week
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Clean chemical data quickly☆14Jun 24, 2023Updated 3 years ago
- [AAAI'25] Bi-level Contrastive Learning for Knowledge-Enhanced Molecule Representations☆30Apr 10, 2025Updated last year
- A Python wrapper for alvaDesc software☆10Oct 15, 2024Updated 2 years ago
- ☆14May 9, 2024Updated 2 years ago
- Graph generative pre-trained transformer☆22Jun 3, 2025Updated last year
- simple ML tool☆14Jul 9, 2024Updated 2 years ago
- CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials. (AAAI-2023)☆32Jan 15, 2025Updated last year
- SGPPI: structure-aware prediction of protein-protein interactions in rigorous conditions with graph convolutional network☆15Nov 17, 2022Updated 3 years ago
- ☆11Jun 1, 2023Updated 3 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.
- Code for "Graph Contrastive Learning with Cohesive Subgraph Awareness"☆20Feb 29, 2024Updated 2 years ago
- Efficient non-linear PCA through kernel PCA with the Nyström method☆14May 19, 2023Updated 3 years ago
- XGBoost and GNN training and models for prediction of Hansen solubility parameters☆16Jul 4, 2024Updated 2 years ago
- source code for IJCAI 2023 accpeted Paper CSGCL:Community Strength Enhanced Graph Contrastive Learning☆17Mar 20, 2024Updated 2 years ago
- ☆13Jun 14, 2025Updated last year
- This is the official implementation of the paper: Fractional Denoising for 3D Molecular Pre-training☆22Mar 30, 2024Updated 2 years ago
- Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".☆52Feb 22, 2022Updated 4 years ago