GPU-accelerated MCP server for molecular dynamics, N-body simulations, and particle systems
Setup
Choose your client, copy the config, then fill in any required environment variables.
claude mcp add molecular -- uvx scicomp-molecular-mcp~/.codex/config.toml
[mcp_servers.molecular]
command = "uvx"
args = ["scicomp-molecular-mcp"]
# codex mcp add molecular -- uvx scicomp-molecular-mcp~/.cursor/mcp.json
{
"mcpServers": {
"molecular": {
"command": "uvx",
"args": [
"scicomp-molecular-mcp"
]
}
}
}.vscode/mcp.json
{
"servers": {
"molecular": {
"type": "stdio",
"command": "uvx",
"args": [
"scicomp-molecular-mcp"
]
}
}
}~/.gemini/settings.json
{
"mcpServers": {
"molecular": {
"command": "uvx",
"args": [
"scicomp-molecular-mcp"
]
}
}
}claude_desktop_config.json
{
"mcpServers": {
"molecular": {
"command": "uvx",
"args": [
"scicomp-molecular-mcp"
]
}
}
}.trae/mcp.json
{
"mcpServers": {
"molecular": {
"command": "uvx",
"args": [
"scicomp-molecular-mcp"
]
}
}
}