Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
☆33May 17, 2024Updated 2 years ago
Alternatives and similar repositories for Ligand_Generation
Users that are interested in Ligand_Generation are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆24Updated this week
- Multimodal Pretraining for Unsupervised Protein Representation Learning☆22Jul 30, 2024Updated last year
- ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models☆39Nov 25, 2024Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- DrugPipe: Generative artificial intelligence-assisted virtual screening pipeline for generalizable and efficient drug repurposing☆20Jun 9, 2025Updated last year
- 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.
- The official codebase of the paper "Chemical language modeling with structured state space sequence models"☆90Aug 1, 2024Updated last year
- Code Space of SynLlama☆50Apr 11, 2026Updated 3 months ago
- ☆13Nov 26, 2024Updated last year
- Auto in silico Consensus Inverse Docking(ACID) is a web server mainly for drug repurposing based on the consensus inverse docking method…☆13Aug 22, 2019Updated 6 years ago
- A PyTorch implementation of The ICLR 2019 paper "Invariant and Equivariant Graph Networks" by Haggai Maron, Heli Ben-Hamu, Nadav Shamir a…☆17Mar 7, 2022Updated 4 years ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆37May 28, 2024Updated 2 years ago
- Multimodal encoder-only transformer model for image-based protein predictions☆15Dec 12, 2023Updated 2 years ago
- ☆18Feb 2, 2026Updated 5 months ago
- an autoregressive flow model incorporated with chemical acknowledge for generating drug-like molecules inside protein pockets☆162May 14, 2025Updated 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.
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆63Mar 30, 2026Updated 3 months ago
- Multiresolution Equivariant Graph Variational Autoencoder (MGVAE) https://arxiv.org/abs/2106.00967☆25Nov 12, 2024Updated last year
- Protein Design by Machine Learning guided Directed Evolution☆48Jan 1, 2026Updated 6 months ago
- ☆17Jul 7, 2024Updated 2 years ago
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- ☆27Feb 10, 2024Updated 2 years ago
- Code for the paper "Exploiting Pretrained Biochemical Language Models for Targeted Drug Design", to appear in Bioinformatics, Proceedings…☆18Feb 26, 2024Updated 2 years ago
- A deep learning-based predictor of enzyme optimal pH☆12Jun 25, 2025Updated last year
- 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.
- Application of deep generative model discovers novel and diverse functional peptides against microbial resistance☆11Dec 22, 2022Updated 3 years ago
- Repository for Fast Non-autoregressive Inverse Folding with Discrete Diffusion☆19Feb 8, 2024Updated 2 years ago
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆17Sep 13, 2025Updated 10 months ago
- Generative diverse protein backbones by protein language model☆35Feb 27, 2026Updated 4 months ago
- LatentDE: Latent-based Directed Evolution for Protein Sequence Design☆38Apr 2, 2025Updated last year
- Multimodal Contrastive Representation Learning in Augmented Biomedical Knowledge Graphs☆34Dec 8, 2025Updated 7 months ago
- ☆13Oct 9, 2024Updated last year
- ☆10Jul 30, 2024Updated last year
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆61Feb 24, 2026Updated 4 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.
- Language models for drug discovery using torchrl☆118Apr 12, 2026Updated 3 months ago
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆38Apr 6, 2026Updated 3 months ago
- Code for "Multi-Objective GFlowNets"☆20Jul 12, 2023Updated 3 years ago
- ☆20May 25, 2026Updated last month
- Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…☆24Aug 18, 2025Updated 11 months ago
- a deep learning architecture for RNA-ligand binding sites prediction☆18Jan 21, 2024Updated 2 years ago
- ☆31Dec 12, 2024Updated last year