Ellenzzn / ChatMol
☆21Updated last month
Related projects ⓘ
Alternatives and complementary repositories for ChatMol
- Source code for Single-step Retrosynthesis Prediction by Leveraging Commonly Preserved Substructures☆12Updated last year
- ☆18Updated last week
- A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text☆23Updated 7 months ago
- ☆10Updated 3 years ago
- ☆10Updated 3 weeks ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆35Updated 2 months ago
- The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".☆21Updated last year
- Repository for AAAI 2024 paper "MolTailor: Tailoring Chemical Molecular Representation to Specific Tasks via Text Prompts"☆19Updated 7 months ago
- ☆28Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆61Updated 7 months ago
- ☆49Updated 6 months ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆40Updated last year
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated last year
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆15Updated last year
- ☆21Updated 4 months ago
- coming soon☆28Updated last year
- a method for CPI and DTA prediction☆9Updated 2 years ago
- ☆38Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆28Updated 10 months ago
- ☆43Updated 4 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆42Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆29Updated 3 years ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆48Updated 5 months ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆32Updated 2 years ago
- [RECOMB 2023] Official implementation of "Pisces: A combo-wise contrastive learning approach to synergistic drug combination prediction".☆14Updated last year
- Molecule Optimization via Fragment-based Generative Models☆39Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆17Updated 2 years ago
- ☆17Updated 9 months ago
- ☆23Updated 6 months ago
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆12Updated 4 months ago